Structural change in silicon from undercooled liquid state to crystalline state during crystallization

2006 ◽  
Vol 294 (1) ◽  
pp. 16-21 ◽  
Author(s):  
Masahito Watanabe ◽  
Kensuke Higuchi ◽  
Akitoshi Mizuno ◽  
Kosuke Nagashio ◽  
Kazuhiko Kuribayashi ◽  
...  
Keyword(s):  
Structural Change ◽  
Liquid State ◽  
Crystalline State ◽  
Undercooled Liquid

Free-Energy Calculations

2006 ◽  
Author(s):  
Vasily Bulatov ◽  
Wei Cai
Keyword(s):  
Free Energy ◽  
Melting Temperature ◽  
Open System ◽  
Finite Temperature ◽  
Liquid State ◽  
Crystalline State ◽  
Minimum Energy ◽  
Temperature Limit ◽  
Free Energy Calculations ◽  
Energy Calculations

Free energy is of central importance for understanding the properties of physical systems at finite temperatures. While in the zero temperature limit the system should evolve to a state of minimum energy (Section 2.3), this is not necessarily the case at a finite temperature. When an open system exchanges energy with the outside world (a thermostat) and maintains a constant temperature, its evolution proceeds towards minimizing its free energy. For example, a crystal turns into a liquid when the temperature exceeds its melting temperature precisely because the free energy of the liquid state becomes lower than that of the crystalline state. In the context of dislocation simulations, free energy is all important when one has to decide which of the possible core configurations the dislocation is likely to adopt at a given temperature.

Geometry of OH⋯O interactions in the liquid state of linear alcohols from ab initio molecular dynamics simulations

2020 ◽  
Vol 22 (12) ◽  
pp. 6690-6697 ◽  
Author(s):  
Aman Jindal ◽  
Sukumaran Vasudevan
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bonding ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Liquid State ◽  
Crystalline State ◽  
Md Simulations ◽  
Ab Initio Molecular Dynamics ◽  
Linear Alcohols ◽  
Dynamics Simulations

Hydrogen bonding OH···O geometries in the liquid state of linear alcohols, derived from ab initio MD simulations, show no change from methanol to pentanol, in contrast to that observed in their crystalline state.

scholarly journals Influence of temperature on the conductivity of electrolytic solutions

1903 ◽  
Vol 71 (467-476) ◽  
pp. 42-54 ◽  
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Chloride ◽  
Lower Limit ◽  
Boiling Point ◽  
Liquid State ◽  
Crystalline State ◽  
Freezing Point ◽  
Liquid Electrolyte ◽  
Influence Of Temperature ◽  
Influence Of Temperature On

The phenomenon of electrolysis is characteristic mainly of the liquid state, a liquid electrolyte usually ceasing to conduct when it passes into the gaseous or into the crystalline state. The influence of tem­perature on the conductivity of a liquid such as an aqueous solution of hydrogen chloride is, however, of such a character as to indicate that an upper and a lower limit of conductivity may exist apart altogether from the boiling point and freezing point of the solution.

Oxidation of a Ferrocytochrome c in the Crystalline State—Structural Change and Anion Binding

1973 ◽  
Vol 73 (6) ◽  
pp. 1163-1167 ◽  
Author(s):  
Tomitake TSUKIHARA ◽  
Takashi YAMANE ◽  
Nobuo TANAKA ◽  
Tamaichi ASHIDA ◽  
Masao KAKUDO
Keyword(s):  
Structural Change ◽  
Crystalline State ◽  
Anion Binding ◽  
Ferrocytochrome C

Formation of Bulk Nanostructured Materials by Rapid Solidification

2000 ◽  
Vol 15 (7) ◽  
pp. 1605-1611 ◽  
Author(s):  
W. H. Guo ◽  
L. F. Chua ◽  
C. C. Leung ◽  
H. W. Kui
Keyword(s):  
Surface Tension ◽  
Rapid Solidification ◽  
Spinodal Decomposition ◽  
Liquid State ◽  
Nanostructured Material ◽  
Synthesis Process ◽  
Undercooled Liquid ◽  
Metastable Liquid ◽  
Characteristic Wavelength ◽  
Eutectic Melt

When a eutectic melt is undercooled below its liquidus T1 by a critical amount, it undergoes metastable liquid-state spinodal decomposition. The resulting morphologies can be described as intermixing undercooled liquid networks of characteristic wavelength λ. At a temperature substantially below T1, λ can be <100 nm. When λ ≤ 100 nm, the undercooled liquid networks break up into nanometer-size droplets/strips driven apparently by surface tension. The morphologies of the tiny droplets/strips can be frozen by subsequent crystallization. The as-crystallized specimen is a nanostructured material. It is microvoid free and the size of the constituent grains is rather uniform. Two systems, Pd40.5Ni40.5P19 and Pd82Si18, were chosen to illustrate the synthesis process.

scholarly journals Resistivity of Cu, Ni and Sb in undercooled liquid state

2021 ◽  
Vol 1885 (3) ◽  
pp. 032010
Author(s):  
Fengxiang Guo ◽  
Xueyu Zhang ◽  
Shousheng Liu ◽  
Zhigang Gai ◽  
Yibao Wang
Keyword(s):  
Liquid State ◽  
Undercooled Liquid
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