作为激活动力学和减少玻璃成型液体复杂性的驱动因素的中期结构秩序
Baicheng Mei1,2, Kenneth S Schweizer1,3,4,2
1Department of Materials Science, University of Illinois, Urbana, Illinois 61801, United States.
The journal of physical chemistry. B
|October 31, 2024
概括
弹性集体非线性朗格温方程理论将液态动力学与中距离顺序 (MRO) 相对关系联系起来. 这揭示了控制玻璃过渡温度和液体行为的普遍原则.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
- 统计力学 统计力学
背景情况:
- 转变稳定的液体中的激活动力学对于理解玻璃过渡至关重要.
- 现有的理论往往难以将微观动力学与宏观性质联系起来.
研究的目的:
- 深入分析弹性集体非线性朗格温方程 (ECLNE) 理论.
- 在液体中建立动态性质和中程顺序 (MRO) 之间的因果关系.
主要方法:
- 对ECLNE进行深入的理论分析.
- 建立阿尔法放松时间,弹性障碍和MRO静态相关长度之间的联系.
- 调查短期与MRO相关性的作用.
主要成果:
- ECLNE理论因果地将动态特性 (α放松时间,弹性障碍) 与MRO静态相关长度联系起来.
- 详细介绍了MRO相关长度与密度和温度的生长行为.
- 基于可压缩性的"复杂性降低"方案,将液体映射到硬球,得到了验证.
- 该方案以高准确度预测了21种液体的玻璃过渡温度 (Tg).
- 在Tg的MRO相关长度预计为2-6nm.
结论:
- 对于元稳定体制中的液态动态,MRO相关性比短期约束更为关键.
- "降低复杂性"方法提供了一个强大的,普遍的框架来预测液体行为和Tg.
- 这项研究为液态动力学和玻璃过渡的理论基础提供了新的见解.
相关概念视频
Structures of Solids
14.0K
Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
14.0K
Polymer Classification: Crystallinity
2.8K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
2.8K
Metallic Solids
18.3K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
18.3K
Crystal Field Theory - Octahedral Complexes
26.2K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
26.2K
Ionic Crystal Structures
14.1K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.1K
Molecular and Ionic Solids
16.9K
Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
16.9K


