相关论文: Defect-induced ordering and disordering in metalli…
The field of disordered systems provides many simple models in which the competing influences of thermal and non-thermal disorder lead to new phases and non-trivial thermal behavior of order parameters. In this paper, we add a model to the…
Topological defects are typically quantified relative to ordered backgrounds. The importance of these defects to the understanding of physical phenomena including diverse equilibrium melting transitions from low temperature ordered to…
The immense dependence of the glass transition temperature $T_g$ on molecular weight $M$ is one of the most fundamentally and practically important features of polymer glass formation. Here, we report on molecular dynamics simulation of…
Temperature rise ($\Delta T$) associated with shear-banding of metallic glasses is of great importance for their performance. However, experimental measurement of $\Delta T$ is difficult due to temporal and spatial localization of shear…
Properties of water have been well elucidated for temperatures above $\sim$230 K and yet mysteries remain in the deeply supercooled region. By performing extensive molecular dynamics simulations on this supercooled region, we find that…
All liquids are topologically disordered materials; however, the degree of disorder can vary as a result of internal fluctuations in structure and topology. These fluctuations depend on both the composition and temperature of the system.…
High-harmonic generation (HHG) is a typical high-order nonlinear optical phenomenon and can be used to probe electronic structures of solids. Here, we investigate the temperature dependence of HHG from Pr_{0.6}Ca_{0.4}MnO_{3} in the range…
Using molecular dynamics simulations with embedded atom model potential, we study structural evolution of ${\rm Cu_{64.5}Zr_{35.5}}$ alloy during the cooling in a wide range of cooling rates $\gamma\in(1.5\cdot 10^{9},10^{13})$ K/s.…
We report a wavelike fracture pattern in a Zr-based bulk metallic glass that has been deformed under quasi-static uniaxial tensions at temperatures between room temperature (300 K) and liquid nitrogen temperature (77 K). We attribute this…
Comparison of the internal friction at hypersonic frequencies between a few K and the glass transition temperature Tg for various glasses brings out general features. At low temperature, internal friction is only weakly dependent on the…
The ways of portrayal of the pressure evolution of the glass temperature (Tg) beyond the dominated Simon-Glatzel-like pattern are discussed. This includes the possible common description of Tg(P) dependences in systems described by dtg/dP>0…
The glass transition temperature (Tg) is the temperature, after which the supercooled liquid undergoes a dynamical arrest. Usually, the glass network modifiers (e.g., Na2O) affect the behavior of Tg. However, in aluminosilicate glasses, the…
Temperature-driven metal-insulator and pressure-driven insulator-metal transitions observed in(BEDT-TTF)8[Hg4X12(C6H5Y)2]] with X = Y = Br are studied through band structure calculations based on X-ray crystal structure determination and…
The Lindemann criterion is reformulated in terms of the average shear modulus $G_c$ of the melting crystal, indicating a critical melting shear strain which is necessary to form the many different inherent states of the liquid. In glass…
Point defects in real crystals at finite temperatures are inevitable. Their dynamics severely influence the mechanical properties of crystals under shear giving rise to nonlinear effects such as ductility. Therefore, it is crucial to…
The electronic structures of fcc Ce are calculated for large supercells with varying disorder by use of density-functional theory. Thermal disorder induces fluctuations of the amplitude of the magnetic moments and an increase the average…
Thermal conductivity of a model glass-forming system in the liquid and glass states is studied using extensive numerical simulations. We show that near the glass transition temperture, where the structural relaxation time becomes very long,…
We have performed a Monte Carlo study of a classical three dimensional Coulomb system in which we systematically increase the positional disorder. We start from a completely ordered system and gradually transition to a Coulomb glass. The…
In a preceding paper, Mukhopadhyay and I studied the diffusive motion of a tagged molecule in a heterogeneous glass-forming liquid at temperatures just above a glass transition. Among other features of this system, we postulated a relation…
Predicting the thermal conductivity of glasses from first principles has hitherto been a prohibitively complex problem. In fact, past works have highlighted challenges in achieving computational convergence with respect to length and/or…