由软棒形成的不同相的值
Jayeeta Chattopadhyay1,2, Shiang-Tai Lin3, Prabal K Maiti1
1Centre for Condensed Matter Theory, Department of Physics, Indian Institute of Science, Bangalore 560012, India.
The Journal of chemical physics
|August 3, 2023
概括
双相热力学模型 (2PT) 准确计算了软排斥球圆液晶 (LC) 阶段的. 对于给定的包装分数,不同的LC阶段的值是相似的.
科学领域:
- 统计物理 统计物理
- 软物质物理学 软物质物理学
- 热力学是一种热力学.
背景情况:
- 在液态和液晶 (LC) 阶段计算在统计物理学中是一个重大挑战.
- 现有的模型经常与形状异构型系统作斗争.
研究的目的:
- 将两相热力学模型 (2PT) 扩展到软排斥球圆柱体 (SRS).
- 确定各种LC相和面积比的绝对值.
- 研究转换和旋转自由度对的贡献.
主要方法:
- 将2PT模型应用于形状异构的SRS,其面积比L/D=2-5.
- 计算了状态的密度,并将其分解为转换和旋转元件.
- 利用流动性因子将模式分为扩散性 (气体类) 和非扩散性 (固体类) 的类别.
主要成果:
- 2PT模型的结果与稀释极限中的理想刚性转子计算一致.
- 总大小在不同的LC阶段对于固定的包装分数是一致的.
- 计算了L/D=5的过量,与标准分子动力学 (MD) 和蒙特卡洛方法有很好的一致性.
结论:
- 2PT模型为异性质软物质系统提供了准确的计算.
- 来自转换和旋转运动的流动性因子可以预测LC相极限.
- 在这些系统中,对于给定的包装分数,在很大程度上独立于特定的LC相.
相关概念视频
Entropy
30.4K
Salt particles that have dissolved in water never spontaneously come back together in solution to reform solid particles. Moreover, a gas that has expanded in a vacuum remains dispersed and never spontaneously reassembles. The unidirectional nature of these phenomena is the result of a thermodynamic state function called entropy (S). Entropy is the measure of the extent to which the energy is dispersed throughout a system, or in other words, it is proportional to the degree of disorder of a...
30.4K
Third Law of Thermodynamics
19.0K
A pure, perfectly crystalline solid possessing no kinetic energy (that is, at a temperature of absolute zero, 0 K) may be described by a single microstate, as its purity, perfect crystallinity,and complete lack of motion means there is but one possible location for each identical atom or molecule comprising the crystal (W = 1). According to the Boltzmann equation, the entropy of this system is zero.
19.0K
Phase Transitions
19.2K
Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
19.2K
Strain-Energy Density
470
Understanding the strain energy density in materials under axial load is crucial for evaluating their mechanical behavior and durability. When a rod is subjected to such a load, it elongates and stores energy, known as strain energy, as potential energy within the material. This energy is measured in terms of energy per unit volume.
In the elastic region of a material, the relationship between the stress and the strain is linear and follows Hooke's Law. The strain energy density in this...
In the elastic region of a material, the relationship between the stress and the strain is linear and follows Hooke's Law. The strain energy density in this...
470
States of Matter and Phase Changes
997
The internal energy of a substance—the total kinetic energy of all its molecules and the potential energy of their associated forces—depends on the strength of the intermolecular forces in the condensed phases and the pressure exerted on the substance. The internal energy of a substance is the highest in the gaseous state, the lowest in the solid state, and intermediate in the liquid state. Phase transitions are caused by changes in physical conditions, such as temperature and...
997
Entropy and Solvation
7.1K
The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ...
7.1K


