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The influence of alternating shear orientation and strain amplitude of cyclic loading on yielding in amorphous solids is investigated using molecular dynamics simulations. The model glass is represented via a binary mixture that was rapidly…
The ubiquitous appearance of regions of localized deformation (shear bands) in different kinds of disordered materials under shear is studied in the context of a mesoscopic model of plasticity. The model may or may not include relaxational…
The specific heat anomaly (SHA) is broadly observed in statistical mechanics, appearing as a smooth, system-size-independent peak in the specific heat, in contrast to the singular behavior typical of second-order phase transitions (PTs).…
The mechanical behavior of two-dimensional (2D) materials across 2D phase changes is unknown, and the finite temperature ($T$) elasticity of paradigmatic SnSe monolayers -- ferroelectric 2D materials turning paraelectric as their unit cell…
We have investigated the response of amorphous silicon (a-Si), in particular crystallization, to external mechanical shear deformations using classical molecular dynamics (MD) simulations and the empirical Environment Dependent Inter-atomic…
The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent…
This paper provides the simulated floating zone (SFZ) method that is an efficient simulation technique to obtain thermal equilibrium states, especially useful when domain formation prevents the system from reaching a spatially-uniform…
Room-temperature and low-temperature (77 K) scanning tunneling spectroscopy (STS) and voltage-dependent scanning tunneling microscopy (STM) data are used to study the local electronic properties of the quasi-one-dimensional Si(557)-Au…
We investigate numerically the yielding transition of a two dimensional model amorphous solid under external shear. We use a scalar model in terms of values of the total local strain, that we derive from the full (tensorial) description of…
We present the results of a mean-field analysis of the temperature evolution of a ferromagnetic Stoner transition in a two-dimensional (2D) system with an isotropic dispersion $\varepsilon_k \propto k^{2\alpha}$, which for $\alpha >1$…
The mechanisms that govern a previously unexplained hardening effect of a single phase Cu-30wt%Zn {\alpha}-brass after heating have been investigated. After cold-work, the alloy possesses an increased yield strength and hardening rate only…
The framework of transition state theory (TST) provides a powerful way for analyzing the dynamics of physical and chemical reactions. While TST has already been successfully used to obtain reaction rates for systems with a single…
Molecular dynamics simulations are performed to examine the dynamic response of amorphous solids to oscillatory shear at finite temperatures. The data were collected from a poorly annealed binary glass, which was deformed periodically in…
We conduct nonequilibrium molecular dynamics simulations to measure the shear stress, the average inherent structure energy, and the effective temperature $T_{eff}$ of a sheared model glass as a function of bath temperature $T$ and shear…
If a porous media is being damaged by excessive stress, the elastic matrix at every infinitesimal volume separates into a 'solid' and a 'broken' component. The 'solid' part is the one that is capable of transferring stress, whereas the…
(Bi1-xSbx)2Te3 (x=0.60, 0.65, 0.68, 0.70, 0.75 and 0.80) mixed crystals have been synthesized by solid state reaction. In depth structural, thermal, transport and electronic properties are reported. Defect and disorder play a crucial role…
We study the distribution of the Schmidt coefficients of the reduced density matrix of a quantum system in a pure state. By applying general methods of statistical mechanics, we introduce a fictitious temperature and a partition function…
Ternary alloys of Ge-Sb-Te (GST) have been extensively studied due to their unique ability display a reversible change in their phase upon stimulation by optical pulses i.e., amorphous (a-GST) to crystalline (c-GST) and vice-versa. The two…
Two-dimensional group IV transition-metal dichalcogenides have encouraging thermoelectric applications since their electronic and lattice properties can be manipulated with strain. In this paper, we report the thermoelectric parameters such…
The role of layer disorder is important in establishing the topological phases of MoTe${_2}$. A rich tapestry of atomic ordering influences the structural phase transitions (SPTs), but there is little understanding of the mechanistic…