http://www.j-octa.com/index.

html
SOCTA001E-1208
+81(6)4803-5820 +81(6)6225-3517
Tosabori Daibiru Bldg. 2-2-4 Tosabori, Nishi-ku, Osaka 550-0001
Phone: Fax:
+81(52)202-8181 +81(52)202-8172 Phone: Fax:
+81(3)5859-6020 +81(3)5859-6035 Phone: Fax:
Marunouchi KS Bldg. 2-18-25 Marunouchi, Naka-ku, Nagoya 460-0002
Harumi Center Bldg. 2-5-24 Harumi, Chuo-ku, Tokyo 104-0053 Tokyo /
/
/
Nagoya
Osaka
JSOL CORPORATION Engineering Technology Division
E-mail j-octa-info@sci.jsol.co.jp URL http://www.jsol.co.jp/english/cae/
Detailed information can be found on this website
* Tis product uses OCTA, which was developed through a joint project with industry and academia.
OS
CPU
Memory
Hard disk
Graphics
Screen resolution
Display color
Windows XP(32bit,64bit)/Vista(32bit,64bit)/7(32bit,64bit)
CPU Intel Pentium 4 or later, Core 2 Duo recommended
2 GB or more recommended (min.1 GB)
80 GB or more free space recommended (min. 2 GB)
OpenGL-compatible graphics card (nVidia, ATI recommended)
1024 x 768 or more recommended
65536 colors or more recommended
Windows / Linux
CPU Intel Pentium 4 or later, Core 2 Duo
recommended
2 GB or more recommended
80 GB or more free space recommended
Integrated Simulation System for Soft Materials
Integrated Simulation System for Soft Materials
Structure of J-OCTA
Recommended operating environment
J-OCTA platform Analysis engine
J-OCTA OCTA
Support
Contract analysis services
COGNAC modeler
PASTA modeler
NAPLES modeler
SUSHI modeler
MUFFIN modeler
COGNAC
PASTA
NAPLES
SUSHI
MUFFIN
Engine functions
(local/remote/parallel supported)
Data (UDF) editing
Script (Python & Extended Python) function
Molecular orbital
method interface
QSPR
(Quantitative Structure-Property Relationships)
VSOP
(Parallel molecular dynamics engine)
KRI-NIWA
(High accurate group contribution method)
Reverse mapping function
Solubility coefficient
estimation function
Function for estimating parameters
from phase diagrams
Project
management
Example database
Scenario
3D drawing
J-OCTA platform
COGNAC modeler (Coarse-grained molecular dynamics
modeler)Including DPD (Dissipative Particle Dynamics) modeler
PASTA modeler (Rheology modeler)
NAPLES modeler (Rheology modeler)
SUSHI modeler (Dynamical mean-field modeler)
MUFFIN modeler (Multi-phase material modeler)
Molecular orbital method interface
Analysis example database

VSOP (Fast molecular dynamics engine)

QSPR (Quantitative Structure-Property
Relationships)
Reverse mapping function
Solubility coefficient estimation function
Function for estimating parameters from
phase diagrams

Customers who apply for a support contract will be provided with

support services from specialist staff by email, etc.
Assistance in launching analysis work during initial implementation of
J-OCTA will be provided.
Extensive seminars are held ranging from basic theory to operating procedures.
JSOL undertakes outsourced analysis work.
We provide engineering services such as comparison/verification of
analyses with experiments and advice on materials design.
From molecular
characteristics to
material properties
1.0E+03
1.0E+04
1.0E+05
1.0E+06
1.0E+00 1.0E+01 1.0E+02 1.0E+03 1.0E+04 1.0E+05
[rad/sec]
G
',
G
''
[
P
a
]
G'(Simulation)
G''(Simulation)
G'(Experiment)
G''(Experiment)
Input molecular structure
Polyelectrolyte membrane for fuel cell
Sulfonic acid group
Red : Electrolyte hydrophobic area
Green : Electrolyte hydrophilic group
Blue : Water
Stress-strain curve Glass transition temperature
Peeling of resin/solid wall surface

Cross-linking reaction of epoxy resin
Diffusion of gas molecules in resin
Gas Solubility Coefficient
and Free Volume
Parallel Performance of VSOP
Monomer Modeling
Orientation birefringence
0
10
20
30
40
50
60
70
80
90
100
110
COGNAC VSOP
(1PE)
VSOP
(2PE)
VSOP
(4PE)
VSOP
(8PE)
VSOP
(16PE)
VSOP
(32PE)
VSOP
(64PE)

[m
in
]
other
Electrostatic
Interaction
0.84
0.86
0.88
0.90
0.92
0.94
0.96
50 100 150 200 250 300 350 400 450
Temperature [K]
S
p
e
c
if
ic
v
o
lu
m
e
[c
c
/g
]
1 1.5 2 2.5 3 3.5 4
orientation ratio
o
r
ie
n
t
a
t
io
n

b
ir
e
f
r
in
g
e
n
c
e
polycarbonate
polystyrene
-0.15
-0.1
-0.05
0
0.05
0.1
0.15
0.2
Example database
Zooming function, reverse mapping function
QSPR (Quantitative Structure-Property Relationships)
Multi-phase material simulation (MUFFIN)
Interface, phase separation simulation (SUSHI, COGNAC-DPD)
Rheology simulation (PASTA, NAPLES)
Molecular dynamics simulation (COGNAC, VSOP)
Modeling of the Inorganic
/Organic Interfac
Polymer Modeling
J-OCTA is an integrated simulation system for materials research
and development
J-OCTA is an integrated simulation system for materials research
and development

Integrated Simulation System for Soft Materials
Using a slip-link model (PASTA) and a primitive chain network model (NAPLES), rheological
characteristics of polymer melts and polymeric solutions are estimated taking into
consideration molecular weight distribution and branching structure, etc.
Estimation of relaxation modulus, storage and loss moduli, elongational viscosity, etc. is
possible.
Using a phase-separated structure obtained from the mean field method, etc. a finite element
method (FEM) simulation of an elastic body is possible. Possesses mesh generation function.
Evaluates relationship between microstructure and material properties in composites.
Can evaluate micro-fluid phenomena possessing multiple components.
Various properties of polymers are estimated simply by inputting the molecular structure.
Many properties are listed in a short period of time including density, coefficient of thermal
expansion, glass transition temperature, Poisson`s ratio, and electric permittivity etc.
This is a useful tool when carrying out molecular design of organic polymers.
Molecular dynamic structures can be created using component distribution obtained from the
mean field method and dissipative particle dynamics.
All-atom molecular dynamic structures can be created using molecular structures obtained
through coarse-grained molecular dynamics.
It is possible to create relaxed molecular structures, which are difficult to create using all-atom
model only.
This function compiles analysis data into a database for storage/retrieval. Making use of this
function can promote sharing of analysis know-how.
Several analysis examples are provided as samples in the database.
The analysis examples include, not only data such as input files and results files required in
the analysis, but also a scenario function that traces the analysis procedure.
Using the mean field method (SUSHI) and the dissipative particle dynamics method
(COGNAC-DPD), phase-separated structure and interfacial geometry, etc. can be estimated
for materials including block copolymers and molecules with various structures.
Possesses a function for estimating interaction parameters (parameters).
Evaluation-estimation of static and dynamic characteristics of materials from the
atomic/molecular level.
Supports all-atom model (detailed model dealing with all atoms) and coarse-grained
model (model dealing with groups of atoms as units).
Possible to calculate phenomena on a larger scale and over a longer period using
coarse-grained model. Possesses a function for estimating coarse-grained potential.
By writing chemical formulae on the screen, force-field parameters in all-atom model are set
and 3D molecular structures can be easily created.
Construction of block copolymers and random copolymers, as well as polymer tacticity
control, etc. can also be performed easily.
By using parallel molecular dynamics engine VSOP, calculation speeds increase dramatically
and large-scale calculations are possible.
J-OCTA is the software that supports understanding of mechanisms and estimation of material properties from
the atomic scale to the micrometer scale in the development of a wide variety of materials, such as rubbers,
plastics, thin films, coatings, and electrolytes.
It can be used as a knowledge discovery tool to understand complicated properties and phenomena that
could not be fully grasped through experimental results alone.
From molecular
characteristics to
material properties
1.0E+03
1.0E+04
1.0E+05
1.0E+06
1.0E+00 1.0E+01 1.0E+02 1.0E+03 1.0E+04 1.0E+05
[rad/sec]
G
',
G
''
[
P
a
]
G'(Simulation)
G''(Simulation)
G'(Experiment)
G''(Experiment)
Input molecular structure
Polyelectrolyte membrane for fuel cell
Sulfonic acid group
Red : Electrolyte hydrophobic area
Green : Electrolyte hydrophilic group
Blue : Water
Stress-strain curve Glass transition temperature
Peeling of resin/solid wall surface

Cross-linking reaction of epoxy resin
Diffusion of gas molecules in resin
Gas Solubility Coefficient
and Free Volume
Parallel Performance of VSOP
Monomer Modeling
Orientation birefringence
0
10
20
30
40
50
60
70
80
90
100
110
COGNAC VSOP
(1PE)
VSOP
(2PE)
VSOP
(4PE)
VSOP
(8PE)
VSOP
(16PE)
VSOP
(32PE)
VSOP
(64PE)

[m
in
]
other
Electrostatic
Interaction
0.84
0.86
0.88
0.90
0.92
0.94
0.96
50 100 150 200 250 300 350 400 450
Temperature [K]
S
p
e
c
if
ic
v
o
lu
m
e
[c
c
/g
]
1 1.5 2 2.5 3 3.5 4
orientation ratio
o
r
ie
n
t
a
t
io
n

b
ir
e
f
r
in
g
e
n
c
e
polycarbonate
polystyrene
-0.15
-0.1
-0.05
0
0.05
0.1
0.15
0.2
Example database
Zooming function, reverse mapping function
QSPR (Quantitative Structure-Property Relationships)
Multi-phase material simulation (MUFFIN)
Interface, phase separation simulation (SUSHI, COGNAC-DPD)
Rheology simulation (PASTA, NAPLES)
Molecular dynamics simulation (COGNAC, VSOP)
Modeling of the Inorganic
/Organic Interfac
Polymer Modeling
J-OCTA is an integrated simulation system for materials research
and development
J-OCTA is an integrated simulation system for materials research
and development

Integrated Simulation System for Soft Materials
Using a slip-link model (PASTA) and a primitive chain network model (NAPLES), rheological
characteristics of polymer melts and polymeric solutions are estimated taking into
consideration molecular weight distribution and branching structure, etc.
Estimation of relaxation modulus, storage and loss moduli, elongational viscosity, etc. is
possible.
Using a phase-separated structure obtained from the mean field method, etc. a finite element
method (FEM) simulation of an elastic body is possible. Possesses mesh generation function.
Evaluates relationship between microstructure and material properties in composites.
Can evaluate micro-fluid phenomena possessing multiple components.
Various properties of polymers are estimated simply by inputting the molecular structure.
Many properties are listed in a short period of time including density, coefficient of thermal
expansion, glass transition temperature, Poisson`s ratio, and electric permittivity etc.
This is a useful tool when carrying out molecular design of organic polymers.
Molecular dynamic structures can be created using component distribution obtained from the
mean field method and dissipative particle dynamics.
All-atom molecular dynamic structures can be created using molecular structures obtained
through coarse-grained molecular dynamics.
It is possible to create relaxed molecular structures, which are difficult to create using all-atom
model only.
This function compiles analysis data into a database for storage/retrieval. Making use of this
function can promote sharing of analysis know-how.
Several analysis examples are provided as samples in the database.
The analysis examples include, not only data such as input files and results files required in
the analysis, but also a scenario function that traces the analysis procedure.
Using the mean field method (SUSHI) and the dissipative particle dynamics method
(COGNAC-DPD), phase-separated structure and interfacial geometry, etc. can be estimated
for materials including block copolymers and molecules with various structures.
Possesses a function for estimating interaction parameters (parameters).
Evaluation-estimation of static and dynamic characteristics of materials from the
atomic/molecular level.
Supports all-atom model (detailed model dealing with all atoms) and coarse-grained
model (model dealing with groups of atoms as units).
Possible to calculate phenomena on a larger scale and over a longer period using
coarse-grained model. Possesses a function for estimating coarse-grained potential.
By writing chemical formulae on the screen, force-field parameters in all-atom model are set
and 3D molecular structures can be easily created.
Construction of block copolymers and random copolymers, as well as polymer tacticity
control, etc. can also be performed easily.
By using parallel molecular dynamics engine VSOP, calculation speeds increase dramatically
and large-scale calculations are possible.
J-OCTA is the software that supports understanding of mechanisms and estimation of material properties from
the atomic scale to the micrometer scale in the development of a wide variety of materials, such as rubbers,
plastics, thin films, coatings, and electrolytes.
It can be used as a knowledge discovery tool to understand complicated properties and phenomena that
could not be fully grasped through experimental results alone.
http://www.j-octa.com/index.html
SOCTA001E-1208
+81(6)4803-5820 +81(6)6225-3517
Tosabori Daibiru Bldg. 2-2-4 Tosabori, Nishi-ku, Osaka 550-0001
Phone: Fax:
+81(52)202-8181 +81(52)202-8172 Phone: Fax:
+81(3)5859-6020 +81(3)5859-6035 Phone: Fax:
Marunouchi KS Bldg. 2-18-25 Marunouchi, Naka-ku, Nagoya 460-0002
Harumi Center Bldg. 2-5-24 Harumi, Chuo-ku, Tokyo 104-0053 Tokyo /
/
/
Nagoya
Osaka
JSOL CORPORATION Engineering Technology Division
E-mail j-octa-info@sci.jsol.co.jp URL http://www.jsol.co.jp/english/cae/
Detailed information can be found on this website
* Tis product uses OCTA, which was developed through a joint project with industry and academia.
OS
CPU
Memory
Hard disk
Graphics
Screen resolution
Display color
Windows XP(32bit,64bit)/Vista(32bit,64bit)/7(32bit,64bit)
CPU Intel Pentium 4 or later, Core 2 Duo recommended
2 GB or more recommended (min.1 GB)
80 GB or more free space recommended (min. 2 GB)
OpenGL-compatible graphics card (nVidia, ATI recommended)
1024 x 768 or more recommended
65536 colors or more recommended
Windows / Linux
CPU Intel Pentium 4 or later, Core 2 Duo
recommended
2 GB or more recommended
80 GB or more free space recommended
Integrated Simulation System for Soft Materials
Integrated Simulation System for Soft Materials
Structure of J-OCTA
Recommended operating environment
J-OCTA platform Analysis engine
J-OCTA OCTA
Support
Contract analysis services
COGNAC modeler
PASTA modeler
NAPLES modeler
SUSHI modeler
MUFFIN modeler
COGNAC
PASTA
NAPLES
SUSHI
MUFFIN
Engine functions
(local/remote/parallel supported)
Data (UDF) editing
Script (Python & Extended Python) function
Molecular orbital
method interface
QSPR
(Quantitative Structure-Property Relationships)
VSOP
(Parallel molecular dynamics engine)
KRI-NIWA
(High accurate group contribution method)
Reverse mapping function
Solubility coefficient
estimation function
Function for estimating parameters
from phase diagrams
Project
management
Example database
Scenario
3D drawing
J-OCTA platform
COGNAC modeler (Coarse-grained molecular dynamics
modeler)Including DPD (Dissipative Particle Dynamics) modeler
PASTA modeler (Rheology modeler)
NAPLES modeler (Rheology modeler)
SUSHI modeler (Dynamical mean-field modeler)
MUFFIN modeler (Multi-phase material modeler)
Molecular orbital method interface
Analysis example database

VSOP (Fast molecular dynamics engine)

QSPR (Quantitative Structure-Property
Relationships)
Reverse mapping function
Solubility coefficient estimation function
Function for estimating parameters from
phase diagrams

Customers who apply for a support contract will be provided with

support services from specialist staff by email, etc.
Assistance in launching analysis work during initial implementation of
J-OCTA will be provided.
Extensive seminars are held ranging from basic theory to operating procedures.
JSOL undertakes outsourced analysis work.
We provide engineering services such as comparison/verification of
analyses with experiments and advice on materials design.