Project Code: Eno23 Singapore Science and Engineering Fair 2019 Entry Form Please refer to the SSEF website (htio/mww science, edu.sq/ssef) for details on the application process and all he submission requirements. All documents must be received by Wednesday, 9 January 2019, 5pm OND) Tectia a ee te a eer ; eat feiss seine ‘Type of Participation: Project Category": Project Sub-Category*: Engineering Mecnonits_ (Mm) Computational. Mechanics, Individual ‘ona Title of Research Project Crack Nucleation ftom a Disciination Desect DECLARATION BY PARTICIPANT(S) We hereby certify that all the information provided to SSEF organisers is correct. We did not plagiarise material, forge or fabricate data, use or present other researcher's work as our own in my/our research project. We consent to the use of the information/project we submit to the organisers for publicity purpose. I/We understand that all the materials I/we submit will not be retumed to melus. Individual / Team Leader (i.e. team member 1) | Fullname: Ande Lim Bu Yan Schoo Hina choag. Zastiuon | School Level 9 Sa) Jel | (College Section) Signature: sa. NRIGIFIN no: To10T685F Date: 26 December 2018 For Team Projects: ‘Team Member 2 Full name: ‘School, ‘School Level 9.5e5. 10: Signature: NRICIFIN no: Date: ‘Team Member 3 Full name: ‘School ‘School Level a. Ser 3, 1 | Signature NRIGIFAN | Date 'SSEF 2019 ENTRY FORM | Page 1 of 2SCHOOL'S ENDORSEMENT Parente eet TTeacherrcharge’s ful name: TTeacheranecharge's email address Samuct Tan Gun Lemp samul@hciaoltee oF | Teachern-charga’s signature - [at Att | 12am 2009 For team member 1 “Teacher-in-charge’s fullname: "Teacher-in-charge’s email address: “Teacher-in-charge’s signature | Date: For team member 2 “Teacher-in-charge’s full name: Teacher-in-charge’s email address: "Teacher In-charge’s signature Date: For team member 3 "Teacherin-charge’s fullname: ‘Teacher-in-charge’s emall address: Teacher-in-charge’s signature: Date: | SSSEF 2019 ENTRY FORM | Page 2of2Checklist for Adult Sponsor (1) | This completed form is required for ALL projects. ‘To be completed by the Adult Sponsor in collaboration with the student researcher(s): Student's Name(s): Andee tim Bu Yun. 2 Project Tile: Crack Nucleation stom a Disciination Desect 1. Ihave reviewed the Intel ISEF Rules and Guidelines, 2. GF Ihave reviewed the student's completed Student Checklist (1A) and Research Plan/Project Summary. 3. BY Ihave worked withthe student and we have discussed the possible risks involved in the project. 4, 1 The project invalves one or mare of the following and requires prior approval by an SRC, IRB, IACUC or IBC: Humans Potentially Hazardous Biological Agents Vertebrate Animals 1 Microorganisms 1 (DNA 1 Tissues 5. 1 Itemns to be completed for ALL PROJECTS Adult Sponsor Checklist (1) DY Research Plan/Project Summary I Student Checklist (1) O Approval Form (18) A Regulated Research Institutional/Industrial Setting Form (1C) (when applicable; after completed experiment) 1 Continuation/Research Progression Form (7) (when applicable) Additional forms required if the project includes the use of one or more of the following (check all that apply) Humans, including student designed inventions/prototypes. (Requires prior approval by an Institutional Re see ful text ofthe rules) 1D. Human Participants Form (4) or appropriate Institutional IRB documentation 1D. Sample of Informed Consent Form (when anplicable and/or required by the IRB) Qualified Scientist Form (2) {when applicable andor required by the IRB) 1 Vertebrate Animals (Requires prior approval, see full text of the rules) Vertebrate Animal Form (5A) ~for projects conducted in a schoolhome/field research site (SRC prior approval required.) Vertebrate Animal Form (58)-for projects conducted at a Regulated Research Institution. (Institutional Animal Care and Use Committee (IACUC) approval required prior experimentation.) Qualified Scientist Form (2) (Required for all vertebrate animal projects at a regulated research site or when applicable) Potentially Hazardous Biological Agents (Requires prior approval by SRC, |ACUC or IBC, see full text of the rules.) 1 Potentially Hazardous Biological Agents Risk Assessment Form (6A) 1 Human and Vertebrate Animal Tissue Form (6B)-to be completed in addition to Form 6A when projact involves the use of fresh or frozen tissue, primary cell cultures, blood, blood products and body fluids. Qualified Scientist Form (2} (when applicable) The following are exempt from prior review but require @ Risk Assessment Form 3: projects involving protists,archae and similar microorganisms, for projects using manure for composting, fuel production or other non-culturing experiments, projects using color change coliform water test kits, microbial fuel cells, and projects involving decomposing vertebrate organisms. 1D Hazardous Chemicals, Activities and Devices (No SRC prior approval required, see full text of the rules, 1D Risk Assessment Form (3) B_ Qualified Scientist Form (2) (required for projects involving DEA-controlled substances or when applicable) WU My SEE vite xi=tolsheolS Adult Sponsor's Printed Name Signature Date of Review (mm/dd/yy) 6240 SYS macseemrd — lmewu a vitu, edt. SJ Phone Email Z. Tntemational Rules: Guidelines for Science and Enginearing Falrs 2018-2019, student.socletyforscience.org/inteli ef Page 29Student Checklist (1A) This form is required for ALL projects. 1. a.Student/Team Leader: Ande Lim Bu Yun ____ Grades, Email: charmander 192837 Hamu .com Phone: —9l069606 b. Team Member: —_____________c. Team Member: 2. Title of Project: Ceack Nucleation fiom a Disclination Defect 3. School: wa Chong institution (College Section) School Phone: 2955 School Address: _661, Bukit Timah Road , Singapore 269794 4, Adult Sponsor: (Wu Map See Phone/Email: 61905545 maar @) NEU ETA SG 5. Does this project need SRC/IRB/IACUC or other pre-approval? ClYes JZ/No Tentative start date: 6. Is this a continuation/progression from a previous year? Yes 71 No IF Yes: a. Attach the previous year's (1 Abstract and C1 Research Plan/Project Summary . Explain how this project is new and different from previous years on C continuation/Research Progression Form (7) 7. This year's laboratory experiment/data collection: o4|oali forte 1a|95|is ‘Actual Start Date: (mm/dd/yy) End Date: (mm/dd/yy) 4 8 Where will you conduct your experimentation? (check all that apply) A Research Institution [School OField Home CO Other: 9. List name and address of all non-home and non-school work site(s) lanyan: nolegical Universi Name; Nanyang __‘Technotegieal University Address; “8d Nanyang five, 3986 Phone) _e-1a1144 email 10. Complete a Research Plan/Project Summary following the Research Plan/Project Summary instructions and attach to this form. 11. An abstract is required for all projects after experimentation. Page 30 International Rules: Guidelines for Sclence and Engineering Falrs 2018-2019, student sacletyforscience.org/intApproval Form (1B) ‘A completed form is required for each student, including all team members. 1. To Be Completed by Student and Parent a. Student Acknowledgment: + understand the risks and possible dangers to me ofthe proposed research plan. + Ihave read the Intel ISEF Rules and Guidelines and will adhere to all International Rules when conducting this research, + [have read and will abide by the following Ethics statement Student researchers are expected to maintain the highest standards of honesty and integrity. Scientific fraud and misconduct are not condoned at any level of research or competition. Such practices include but are not limited to plaglarism, forgery, use or presentation of other researcher's work as ones own, and fabrication of data. Fraudulent projects wil fail to qualify for competition in affiliated fairs and the Intel ISEF. Andie Um Bu Yun Blota. seloetia oyla lie Student's Printed Name Signature Date Acknowledged (mmddyy) {Must be prior to experimentation} b. Parent/Guardian Approval | have read and understand the risks and possible dangers involved in the Research Plan/Project Summary. | consent to my chilg participating in this research. on foals a=, Nico os eok Theng eet Eeprovrdarrecestome Serre / Date Acrodiedked (nha) (ust be rot experimen | 2. To be completed by the local or affiliated Fair SRC (Required for projects requiring prior SRC/IRB APPROVAL. Sign 2a or 2b as appropriate.) '& Required for projects that need prior SRC/IRB approval ’b. Required for research conducted atall Regulated Research BEFORE experimentation (humans, vertebrates or potentially Institutions with no prior fair SRC/IRB approval. hazardous biological agents). on. ‘This project was conducted at a regulated research institution “The SRC/IR6 has carefully studied this project's Research Plan/ not home or high school, etc}, was reviewed and approved Project Summary and al the required forms are included. My by the proper institutional board before experimentation and signature indicates approval ofthe Research Plan/Project complies with the Intel ISEF Rules. Attach (1€) and any required ‘Summary before the student begins experimentation. i tutional approvals (e.g. (ACUC, IRB). SRCARBChairsPrintedName S| SRC Chars Bmned Name Signature Date of Approval (mm/dd/yy) Signature Date of Approval (mm/dd/yy) (Must be prior to experimentation.) 3. Final Intel ISEF Affiliated Fair SRC Approval (Required for ALL Projects) ‘SRC Approval After Experimentation and Before Competition at Regional/State/National Fair | certify that this project adheres to the approved Research Plan/Project Summary and complies with all Intel ISEF Rules. Regional SRC Chars Printed Name ana Date of Approval Mamyaayyyy ‘Slate/National SRC Chairs Printed Name Signature Date of Approval (mmyadlyy) (where opplicable) Pages? Tnternational Rules: Guidelines for Science and Engineering Falrs 2018~2019, student sacletyforscience.org/intel-isefResearch Plan/Project Summary Instructions A complete Research Plan/Project Summary is required for ALL projects and must accompany Student Checklist (1A). Allprojects must have a Research Plan/Project Summary ‘a. Written prior to experimentation following the instructions below to detail the rationale, research question(s), methodology, and risk assessment of the proposed research. changes are made during the research, such changes can be added to the original research plan as an addendum, recognizing that some changes may raqulre returning tothe IRB or SRC for appropriate review ancl approvals. If no additional approvals are required, this addendum serves as a project summary to explain research that was conducted, c.Hfno changes are made from the original research plan, no project summary is required, ‘Some stusies, such as an engineering design or mathematics projects, wil be less detailed in the inital project plan and will change through the course of research, Ifsuch changes occur, project summary that explains what was done is required and can be appended to the original research plan. ‘The Research Plan/Project Summary should include the following a. RATIONALE: Include a brief synopsis of the background that supports your research problem and explain why this research is important and if applicable, explain any societal impact of your research b. RESEARCH QUESTION(S), HYPOTHESIS(ES), ENGINEERING GOAL(S), EXPECTED OUTCOMES: How is this based on the rationale described above? Describe the following in detalt + Procedures: Datal all procedures and experimental design including methods for data collection. Describe only your project. De not include work done by mentor or thers. + Risk and Safety: Identify any potential risks and safety precautions needed. + _ Data Analysis: Describe the procedures you will use to analyze the data/results, d, BIBLIOGRAPHY: List major references (eg, sclence journal articles, books, internet sites) from your literature review if you plan to Use vertebrate animals, one of these references must be an animal care reference, Items 1-4 below are subject-specific guidelines for additional items to be included in your research plan/project summary as applicable. 1 4 Human participants research 1. Participants: Describe age range, gender, raclaathnic composition of participants, Identify vulnerable populations (minors, pregnant women, prisoners, mentally disabled or economically disadvantaged). bb. Recruitment: Where will you find your participants? How will they be invited to participate? &._ Methods: What will participants be asked to do? Will you use any Surveys, questionnaires or tests? Ifyes and not your own, how did you obtain? Did it requice permissions? Ifso, explain, What isthe frequency and length of time involved for each subject? ‘d._ Risk Assessment: What are the risks or potential discomforts (physical, psychological, time involved, social, legal, etc) to participants? How will you minimize risks? List any benefits to society or participants. ‘e. Protection of Privacy: Wil Identifiable information (eg. names, telephone numbers birth dates, email addresses) be collected? ill data be confidentia/anonymous? if anoriymous, describe how the data wil be collected. f not anonymous, what procedures are in place for safeguarding confidentiality? Where will data be stored? Who wil have access tothe data? What will you do with the data after the study? f. Informed Consant Process: Describe how you will inform participants about the purpose ofthe study, what they will be asked to 4, that thele participation is voluntary and they have the right to stop at any time, Vertebrate animal research: a, Discuss potential ALTERNATIVES to vertebrate animal use and present justification for use of vertebrates. Explain potential impact or contribution ofthis research, © Detail all procedures to be used, including methods used to minimize potential discomfort, distress, pain and injury to the animals, ‘and detalled chemical concentrations and drug dosages. Detail animal numbers, species, strain, sex, age, source, etc, Include justification of the numbers planned. Describe housing and oversight of daily care f. Discuss disposition ofthe animals atthe termination of the study. Potentially hazardous biological agents research: ' Give source of the organism and describe BSL assessment process and BSL determination, Detail safety precautions and discuss methods of disposal Hazardous chemicals, activities & devie + Describe Risk Assessment process, supervision, safety precautions and methods of disposal. + Material Safety Data Sheets are not necessary to submit with paperwork, uldelines for Sclence and Engineering Fairs 2076-2079, student socletyforsclence.org/intel-isef Page stRegulated Research Institutional/Industrial Setting Form (1C) This form must be completed AFTER experimentation by the adult supervising the student research conducted in a regulated research institution, industrial setting or any work site other than home, school or field. Student's Name(s) Andre Lim Su Yun Title of Project _Crack Nucleation from a Disclination Defect ‘To be completed by the Supervising Adult in the Setting (NOT the Student(s)) after experimentation: (Responses must be on the form as itis required to be displayed at student's project booth; please do not print double- ided) The student(s) conducted research at my work site: 1. Did you or your proxy (e.g. graduate student, postdoc, employee) mentor or provide substantial guidance to the student researcher? Ares No Ifo, describe your and/or your institution's role with the student researcher and his/her project (e.g. supervised use of equipment on site without ongoing mentorship and sign below. b._Ifyes, complete questions 2-5. 2. Isthe student's research project a subset of your ongoing research or work? Fives No Use questions 3, 4 and 5 to detall how the student’ project was similar and/or different from ongoing research or work at your site, 3, Describe the independence and creativity with which the student: ‘developed the hypotheses or engineering goals for the research project, He has a clear vision oF the goats of the project. Hy potneses were develope with my assistance. bb. designed the methodology for his/her research project, The research methedoiogy 'S mainy computational. He is quite mde pendent in eaming and exploring tt. analyzed and interpreted data The results were anaiysed and interpreted quite well by the student. New insights were games, (Continued on next page) Tnternational Rules: Guidelines for Science and Engineering Fairs 2078-2018, student socletyforsclence.org/intel-lseh Page 33Regulated Research Institutional/Industrial Setting Form (1C) Continued Student's Name(s) Andee Jim Bu Yun 4, Detail the student's role in conducting the research (e.g. data collection, specific procedures performed}, Differentiate what the student observed and what the student actually did. The Student developed tne physical model and mathematical Programs to solve the felevant equations. He feamt how to accept and resect feSults based on physisol considerations 5, Did the student(s) work on the project as part of a group? Yes 1 No yes, how many individuals were in the group and who were they (e.g, high school students, graduate students, faculty, professional researchers)? Tattest that the student has conducted the work as indicated above and that any required review and approval by institutional regulatory board (IRB/IACUC/IBC) has been obtained. Copies are attached if applicable. |urther acknowledge that the student will be presenting this work publily in competition and I have communicated with the student research regarding any requirements formy yeview, a ‘of what is publicized. fo Zt wy Ay SET As fou. ershaaanhinliey Sen Tie Nanyang (¢hnol og ical = 12 [os/ 12, Institution J 7, Date Signed (mustbe om Co Nenya-g Aut SiC ape Qt rmeneatn) ri es me a tH mG UL te Page ss Tnternational Rules: Guidelines for Science and Engineering Fairs 2018-2019, student.societyforscience.org/intel-isehQualified Scientist Form (2) ‘May be required for research involving human participants, vertebrate animals, potentially hazardous biological agents, and hazardous substances and devices. Must be completed and signed before the start of student experimentation, Student's Name(s) Andre lim Bu Yun Title of Project Crack Nucleation from a Disclination Defect To be completed ne the coe Scientis MAO SEE Mecha nic Scientist Namex_ VL PAD. Educational Background Degreeth Experlnce/rainog oo cats tothe tents ava of rassarh Pe. Ph.D in Mechantes postion ANIC Peeks rnsttutons Nanya Bchnelogice) Ofnniesi 50 Naw Adress pansy M6 631719 emaiyphone: Mninswy @ Aty. edi | 6740 SS¥5 1) Have you reVlewla the Intl ISEF rules relevant to this project? 2. Will any of the following be used? a. Human participants b. Vertebrate animals Pives c. Potentially hazardous biological agents (microorganisms, rDNA and tissues, including blood and blood products) d. Hazardous substances and devices 3. Will this study be a sub-set of a larger study? 4, Will you directly supervise the student? a. If no, who will directly supervise and serve as the Designated Supervisor? b, Experience/Training of the Designated Supervisor: Dyes No OyYes GINo Oves {No OYes TNo Ces JaNo ves ONo ‘To be completed by the Qualified Scientist: I certify that | have reviewed and approved the Research Plan/ Project Summary prior to the start of the experimentation, I the student or Designated Supervisor is not trained in the necessary procedures, | wil ensure her/his training, I ill provide advice and Supervision during the research. | have a working knowledge of the techniques to be used by the student in the Research Plan/ Project Summary, l understand that a Designated Supervisor is required when the student s not conducting experimentation under my direct supervision. wy Mo See ‘To be completed by the Designated Supervisor when the Qualified Scientist cannot directly supervise. | cortify that ! have reviewed the Research Plan/Project Summary and have been trained in the techniques to be used by this student, and | will provide direct supervision. Designated Supervisors Printed Name ‘Qualified Scientist's Printed Name rst Ou] ea fia} | Signature Date of Approval (mm/dd/yy) aes Quin eS Signature Date of Approvallmm/ddiyy) Phone Email International Rules: Guidelines for Science and Engineering Fairs 2078-2019, student societyforscience.org/intel ise? Page 35Risk Assessment Form (3) Must be completed before experimentation. Student's Name(s) Title of Project To be completed by the Student Researcher(s) in collaboration with Designated Supervisor/Qualified Sclentist: (All questions must be answered; additional page(s) may be attached) 1. Listall hazardous chemicals, activites, or devices that will be used; identify microorganisms exempt from pre-approval (see Potentially Hazardous Biological Agent rules). 2, Identify and assess the risks involved in this project. 3, Describe the safety precautions and procedures that will be used to reduce the risks. 4, Describe the disposal procedures that will be used (when applicable). 5, List the source(s) of safety information. To be completed and signed by the Designated Supervisor (or Qualified Scientist, when applicable): | agree withthe risk assessment and safety precautions and procedures described above. certify that| have reviewed the Research Plan/Project Summary and wil provide direct supervision. Designated Supervisors Printed Name “Signature Date of Review (mm/dd/yy) Position & Institution Phone or email contact information| Experience/ Training as relates to the student's area of research Page a6 Tnternational Rules: Guidelines for Sclonce and Engineering Fairs 2018-2019, student socletyforsclence.org/intel-isefResearch Plan Rationale In recent times, microstructural analyses of polycrystalline aggregates such as many ‘common metals, which are composed of numerous grains, crystallites of varying sizes and orientations, have played a vital role in ongoing advancements of engineering materials, with direct contributions to quality control and increasing service life and performance when incorporated into practical structural design. The structures of engineering materials often relate to the arrangements of their intemal components, and the imperfections and defects in their microstructures control and are responsible for many of their resulting mechanical, physical properties (Verhoeven, 1994). One such rotational defect in polycrystalline aggregates are disclinations. A wedge disclination, in particular, is defined as one with the Frank vector parallel to the defect line, which coincides perpendicularly with the centre of a homogenous, isotropic circle, an approximation for the complex geometry of each grain. It is intuitively visualised as the insertion or removal of a wedge or sector of material into or from the circle, glued perfectly in place such that the rejoined surfaces cannot be identified, resulting in an internally-strained body with a negative or positive disclination respectively, when external forces are removed. A disclination defect possesses a singular stress field and under such large intemal stresses within the circular grain, a pure Zener crack, wedged open at one end with a crack head opening displacement, may emanate. On a larger scale, accumulation of such cracks within grains in polycrystalline aggregates may compromise the integrity of the overall structure, potentially resulting in structural failure and collapse. As such, the elucidation of such crack nucleation mechanisms is of significant importance to the determination of stability, reliability, functionality and life of nanostructured metals, as well as their deformation behaviour under external stresses. Furthermore, theoretical work in this field has been limited. Wu and Zhou (1896) investigated the nucleation of a crack from a single wedge disclination in a cylinder, focussing on the calculation of stress intensity factors (SIFs) of cracks emanating from the disclination, rather than a prediction of the possibility of the nucleation of the crack. Similarly, Wu (2017) addressed the problem of crack nucleation from a wedge disclination dipole, predicting the emanation of a crack by comparing the energetics of a linear elastic, planar solid with only a disclination dipole, and with both a disclination dipole and a nucleated crack. However, this failed to address the case of a single wedge disolination, which can exist in very small crystals (Nazarov, 2013) and did not accurately consider the shape of the grain in which the disclination occurs, thereby limiting its applications in practical modelling of physical problems in the mechanics of materials. As such, this research intends to investigate the nucleation of a Zener crack from a single wedge disclination within a circular grain, based on favourability of the energy formulation of states with and without crack nucleation, which is computationally less intensive thancalculations derived from the traditional viewpoint of classical mechanics. In essence, the potentiality of the single disclination to nucleate a crack within a grain is determined by comparing the energies of the uncracked and cracked disclinated grains in the formulated problem, given that there is a tendency for the system to transition to @ lower energy state, Which is more favourable, allowing for a more accurate prediction of whether crack nucleation will occur from the wedge disclination defect, Based on the energy solutions obtained, the dependence of Zener crack nucleation from the disclination on grain radius, disclination strength and surface energy of the material making up the grain will be characterised and crack nucleation solutions for crack length and crack head opening displacement will be determined for a range of common metals. Lastly, to provide applicability to the real-life modelling of physical problems in polycrystalline aggregates, the effect of grain surface stresses on the further possibility of the nucleation of a composite Zener-Griffith crack from the disclination defect will be investigated. Through this study, we aim to provide a theoretical basis for crack nucleation mechanisms in polycrystalline aggregates, and by examining the various parameters that affect crack nucleation, reinforcement of structures prone to such defects can be recommended, for safe design in building and construction. Research Questions + Is the cracked, disclinated grain at a lower energy state than the uncracked, disclinated grain? + Are the lengths and crack head opening displacements of the possible Zener cracks nucleated in the grain stable or unstable? + How does the possibility of pure Zener crack nucleation from a single wedge disclination defect within a grain change with the material making up the grain? + How is the possibility of pure Zener crack nucleation from a single wedge disclination defect within a grain dependent on grain radius, disclination strength, and the surface energy of the material making up the grain? + How do external tangential and radial grain surface stresses affect the further possibility of Zener-Griffith crack nucleation from the wedge disclination defect in a grain? Hypotheses of Research + The cracked, disclinated grain is at a lower energy state than the uncracked, disclinated grain and the possible Zener cracks that may nucleate have both stable and unstable crack lengths and crack head opening displacements.+ The possibility of pure Zener crack nucleation from a single wedge disclination defect within a grain change is affected by the material making up the grain. + The possibility of Zener crack nucleation from a single wedge disclination defect within a grain decreases with a decrease in grain radius, increases with an increase in disclination strength, and decreases with a decrease in surface energy. + External tangential and radial grain surface stresses increase the possibility of Zener- Griffith crack nucleation from the wedge disclination defect in a grain. Engineering Goals + To compute the energies of the two possible states within a grain of a polycrystalline aggregate, with only a single wedge disclination defect, and with the nucleation of a pure Zener crack from the single wedge disclination defect, and thereby predict the possibility of Zener crack nucleation from the disclination defect + To compute the stable and unstable crack lengths and crack head opening displacements of the possible Zener cracks that may nucleate from the single wedge disciination defect + To investigate how the possibility of pure Zener crack nucleation from a single wedge disclination defect within a grain changes with the material making up the grain + To investigate how Zener crack nucleation from a single wedge disclination defect within a grain of a polycrystalline aggregate depends on the grain radius, disclination strength and surface energy of the material making up the grain + To investigate the effect of extemal grain surface stresses on the further possibility of the nucleation of a composite Zener-Griffith crack from a single wedge disclination defect in a grain of a polycrystalline aggregate Expected Outcomes + With the energy analysis method, an expression to predict potentiality of Zener crack nucleation from a single wedge disclination defect in a grain will be developed. + The equilibrium lengths and crack head opening displacements of the possible cracks will also be found and as these are complex functions of disclination power, grain radius, i and surface energy of the material making up the grain, the dependence of the | equilibrium crack length and crack head opening displacement solutions on these various parameters will be elucidated and characterised.+ The equilibrium crack lengths and crack head opening displacement will be determined for a range of common metals. + The dependence of the potentiality of Zener-Griffith crack nucleation and the equilibrium crack length and crack head opening displacement solutions, on extemal radial and tangential grain surface stresses, will be elucidated and characterised, allowing for physical modelling of real-life microstructures and reinforcement of structures that are more vulnerable to crack nucleation. ace Wolfram Mathematica 11.3.0.0 was used for much of the computational work in this study. Formulation of problem The problem is first defined by Fig. 1, which shows a singular central negative wedge disclination of strength w, represented by the triangle, in a circular approximation of a grain in a polycrystalline aggregate with radius R. Under the intemal stress induced by the disclination defect, itis intended to investigate whether the disclination will remain stable or a Zener crack will nucleate from it. The Zener crack is characterised by a crack head opening br and length 21, Rectangular coordinates (x, y) and polar coordinates (r, 6) are defined with respect to the origin which is located at the centre of the nucleated Zener crack. As such, the negative wedge aisclination is located at (-, 0) and the end of the Zener crack at (|, 0). Fig. 4: A Zener crack of length 2! and crack head opening br nucleated from the singular negative wedge disclination defect of strength w, in a circular plane of the nanocylinder with radius RDetermining energy solutions ‘An expression for the total elastic energy E. of the grain with a nucleated Zener crack is developed. This expression consists of the self-energy Eset, orackes Of the wedge disclination and the pure Zener crack, expressed as Esai, cracked = pore + Porn (1) , the crack surface energy 4y/, where y is the surface energy per unit area, a material property measured in J/m?, as well as the interaction energy En. The disclination core energy is neglected. Therefore: Eo = 4yl + Eco cracked + Ent 2) The shear modulus and Poisson's ratio of the material making up the grain are denoted by and v respectively, and: D=pl 2n(t-v) (3) The total elastic energy of the grain with only a singular negative central wedge disclination, expressed as E or Eset uncrciea, the self energy of the wedge disclination, given by: Ei = Econ, nected = ort (4) Therefore, the energy criterion for crack nucleation is: if Ee-Ei< 0 , crack nucleation occurs if Ee-Ei>0 , crack nucleation does not occur (5) , since @ lower energy state is favoured. The stresses within the disclinated grain, defined at every point within the circular boundary, are given by Kleman, Friedel (2008): Gr (radial stress) = Dw {In (\x+/R)] oe (circumferential/tangential stress) = Dw [1+ In (l+i|/R)] = Dw [1+ (In ((x#)/R))712) Oz: (longitudinal stress) = v (On-+ Gee)Cra = Oer= Oss = O29 = Orr = On = 0 ©) ‘The directions of the three significant stresses are shown in Fig. 2 below. Fig. 2: An infinitesimally small element within the circular boundary of the grain, subtending an angle d®. Radial stresses, oy are directed toward and away from the centre of the cylinder (the point of the singular negative wedge disclination), tangential stresses are directed perpencicular to or, ous directed into and out of the surface Ene can be calculated as the negative of the work done to create the Zener crack in the presence of the singular wedge disclination. Since tangential stresses result in the nucleation of the Zener crack, the work done to nucleate the Zener crack, Evy, from the disclination defect is evaluated as the integral of the dot product of ge and Auzener, the opening displacement of the pure Zener crack, expressed as: br ifx <-l Murer = 4 ELE = sin] if-< x t i As such, Ein is expressed as: + [ (Go0- ssthene doe (8) (R41) From (5) and (6), this is further expressed as:bine — t. worn = 2? 411-59 fi Dat hin? P41). (Ra) , where the integral is evaluated over 2 intervals [-(R'),-/] and [-/, +]. Enz is finally evaluated as: obl 40 (Pema S24 itt) oe in AE (10) This expression for the total elastic energy of the cracked, disclinated grain is differentiated with respect to br and this derivative is set equal to 0 to obtain an expression for br in /, the stable crack head opening displacement, following which this expression for br is substituted into the expression for the total elastic energy. The expression for the total elastic energy is then differentiated with respect to / and this derivative will be plotted against /. The roots of the graph, which indicate the stable and unstable lengths of the possible cracks that may nucleate, where points with a negative gradient are unstable and those with a positive gradient are stable, are found and the values for / are substituted into the expression for Ee- E) ao a D Ee By yl + Pana + soy) — Pe ae eu tbr In (11) ; which if less than 0, indicates that crack nucleation occurs from the wedge disclination in the grain due to energetic favourability, Determining energy solutions for different metals and parametric study The expression for the total elastic energy of the cracked, disclinated grain is differentiated with respect to br: Dat Pao + ante — Pe nc) + Db (12), and this derivative is set equal to 0 to obtain an expression for br in /, giving: [2le — lonin(16) + lovin 251 2in (13) , the crack head opening displacement. Obtaining the second partial derivative of Ee with respect to br gives: =i) (14) ob; , which is clearly greater than 0, indicating that the energy of the cracked grain is at a minimum and therefore the crack head opening displacement is stable. The expression for br is then substituted into the expression for the total elastic energy of the cracked, disclinated grain. This expression is further differentiated with respect to J, while substituting the constants with elastic constants and surface energies of the following common metals, given by Lee et al. (2018): 122 nae Magnes i: 7 028 ‘Aursinion one 5 038 un oat] 7a oat 128 a 029 1a “fom 306 6 oat 2a] | 020 2a 7 oat 22 EI oat 144 « 08 oa « 025 “004 so] Oar Eaioal 10 030 one ry 0.98 ace 161 028 ass o 038 on a ae om 28 0a om 36 oa Fig. 3: Table of material constants for common metals: surface energy. shear modulus and Poisson's ratio, and the derivative is plotted against |. The roots of the graph which indicate the stable and unstable lengths of the possible cracks that may nucleate, where points with a negative gradient are unstable and those with a positive gradient are stable, are found and the values for | are substituted into the expression for E, - E; 7 Dob, 1 Dob a2, Ds 9 2R Bee Ei = yl + OP gat 2 + etton)~ Pon Gey 5 bP In (11) , which if less than 0, suggests that crack nucleation occurs from the wedge disclination in the grain due to energetic favourabilty To better elucidate the crack nucleation mechanisms, a parametric study is conducted, in which three groups of parameters can be identified, the material parameters, y, the geometrical parameter R, and the loading parameter w, which are varied one at a time through numerical simulations. For this study, the reference parameter values are taken to be those of beryllium in Fig. 3, R=10%m, and w=-1° Dependence of crack nucleation on disclination power To study the dependence of Zener crack length, |, and crack head opening displacement, r, on disclination strength, w is varied from 0.1° to 1°, while the remaining parameters are kept constant as mentioned above. The solutions for br and / are then determined and these are substituted into (71) to determine energetic favourability. The critical disclination power, below which crack nucleation is no longer energetically favourable, will be determined by graphical analysis, Dependence of crack nucleation on grain radius To study the dependence of Zener crack length, J, and crack head opening displacement, br, on grain radius, R is varied from 10m to 10° m, while the remaining parameters are kept constant as mentioned above. The solutions for br and / are then determined and these are substituted into (11) to determine energetic favourability. The critical grain radius, below which crack nucleation is no longer energetically favourable, will be determined by graphical analysis, Dependence of crack nucleation on surface energy of material making up the grainTo study the dependence of Zener crack length, /, and crack head opening displacement, br, on material surface energy, is varied from 0.10 J/m? to 5.00 Jim?, while the remaining parameters are kept constant as mentioned above. The solutions for br and / are then determined and these are substituted into (17) to determine energetic favourability. The critical surface energy, below which crack nucleation is no longer energetically favourable, will be determined by graphical analysis. Accounting for effects of grain surface stresses Radial and tangential stresses from other grains on a single grain with a single wedge disclination defect in its centre, will be considered separately, as well as simultaneously, for their effects on Zener-Griffith crack nucleation from the Zener crack nucleated from the disclination defect in the grain by means of an energy analysis, 4: A Zener crack of length 2/ and crack head opening br nucleated from the singular negative wedge disolination defect of strength «, in a circular plane of the nanooylinder with radius R, and an external grain exerting tangential and radial stresses on the grain, presenting the possiblity of Zener-Griffth crack nucleation ‘The dependence of Zener-Griffith crack nucleation on the number and relative locations of extemal stresses will also be characterised Risk and Safety Due to the theoretical and computational nature of this study, the potential risks and hazards are few to none. Data AnalysisTo analyse the data obtained, graphs of unstable and stable crack lengths and crack head opening displacements of possible Zener cracks that might nucleate from the disclination defect will be plotted against the various parameters, grain radius, disclination power and surface energy of the material making up the grain, to look for trends in solutions obtained, Corresponding analysis of the equations determining energetic favourability will then be done to look for relations to the trends identified. Graphs of critical disclination power against grain radius and surface energy of the material making up the grain will also be plotted, to look for trends in solutions obtained, Corresponding analysis of the equations determining energetic favourability will then be done to look for relations to the trends identified. Bibliograohy Lee, J.¥., Punkkinen, M.P.J., Schonecker, S., Nabi, Z., Kadas, K., Zolyomi, V., Koo, Y.M., Hu, Q.M., Ahuja, R., Johansson, B., Kollar, J., Vitos, L., Kwon, S.K. (2018) The surface energy and stress of metals. Surface Science, 674, 51-68. Retrieved from https:// www. sciencedirect.com/science/article/pii/S00396028 18300852 Nazarov, A.A. (2013) Disclinations in bulk nanostructured materials: their origin, relaxation and role in material properties. Advances in Natural Sciences: Nanoscience and Nanotechnology, 4. Retrieved from http://iopscience.iop.org/article/ 10.1088/2043-6262/4/3/033002/pdt Kleman, M., Friedel, J. (2008) Disclinations, dislocations and continuous defects: a reappraisal. Reviews of Modern Physics, 80, 61-1125. Retrieved from https://arxiv.org/pdff 0704,3055.pdf Verhoeven, J.D. (1994) Fundamentals of Physical Metallurgy Wu, M.S. (2017) Energy analysis of Zener-Griffith crack nucleation from a disclination dipole. International Journal of Plasticity, 100, 142-155. Retrieved from https:// www.researchgate.net/publication/320316826_Energy_analysis_of_Zener- Griffith_crack_nucleation_from_a_disclination_dipole Wu, M.S., Zhou, H. (1996) Analysis of a crack in @ disclinated cylinder. Intemational Joumal of Fracture, 82(4), 381-399. Retrieved from httosi/llink.springer.com/article/ 10,1007/8F00013240srar= SOCIETY FOR SCIENCE 8 THE PUBLIC Rules Wizard SUMMARY ‘Theso documents require Adobe® Acrobat Reader, which eaten dounload irom tha Adobe pevery ‘The answers you gave (o questions on the previous pages of the Rules Wizard indicate th you need to download the following forms in onder to adhere tothe Intemational Rules: “Thowe tree forms are required for. + Chocks for Adult Sponsor), + Stulont Checklist (1A) and Research Pan + AppnoxalHonm.(15), “+ (lfc Abst! 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