Effects of Cooling Rate and System Size on

Glass Transition Temperature and

Coordination Number
Your Name
April 22, 2024

Abstract
This report investigates the influence of cooling rate and system
size on the glass transition temperature (Tg) and coordination number
in a molecular dynamics simulation. We study the trends observed and
provide explanations for the observed phenomena.

1 Introduction

The glass transition temperature (Tg) is a critical point where a material

transforms from a viscous liquid to a rigid amorphous solid. Below Tg, the
material’s molecules are locked into fixed positions, and the material behaves
like a solid. Above Tg, the molecules are more mobile, and the material
behaves like a liquid.

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2 Theoretical Background

The Kob-Anderson model, introduced by Wendelin Kob and William An-

derson, is a binary Lennard-Jones model that captures the glass transition
phenomenon. It involves two types of atoms with different sizes and at-
traction strengths. The model is also known as the Kob-Anderson binary
Lennard-Jones model.
The model is based on molecular dynamics simulations, where an initial
crystalline system is heated to a high temperature, equilibrated, quenched,
and then equilibrated again at a low temperature to form a metastable glass.
The glass transition temperature (Tg) can be determined by monitoring
changes in volume or enthalpy as a function of temperature. The Kob-
Anderson model is a simplistic yet powerful framework for understanding
glass formation and has been used to study the effects of cooling rate and
system size on Tg.

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3 Effect of Cooling Rate on Tg

Discuss your findings on the effect of cooling rate on Tg and explanations.

(a) 4L (b) 6L (c) 8L

(d) 10L (e) 12L (f) 14L

(g) 20L

Figure 1: Graph of volume vs temperature for varying run time

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4 Effect of System Size on Tg

Discuss your findings on the effect of system size on Tg and explanations.

(a) 4x4x4 (b) 6x6x6 (c) 8x8x8

(d) 10x10x10 (e) 12x12x12 (f) 14x14x14

Figure 2: graph of volume vs temperature for varying system size

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5 Radial Distribution Function (RDF) Anal-

ysis

Discuss RDF analysis and coordination number calculations.

6 Results

Present your results including figures and tables.

7 Discussion

Discuss your observations and findings.

8 Conclusion

Summarize your findings and conclusions.

References

Include your references.