Related papers: Strain-rate and temperature-driven transition in t…
A three-dimensional model is presented for the prediction of solidification behavior using a nonlinear transformation of the enthalpy equation in a Smoothed Particle Hydrodynamics (SPH) discretization. The effect of phase change in the form…
We study numerically a lattice model of semiflexible homopolymers with nearest neighbor attraction and energetic preference for straight joints between bonded monomers. For this we use a new algorithm, the "Pruned-Enriched Rosenbluth…
While deeply supercooled liquids exhibit divergent viscosity and increasingly heterogeneous dynamics as the temperature drops, their structure shows only seemingly marginal changes. Understanding the nature of relaxation processes in this…
The electronic band structure can change with temperature in Mott and Kondo insulators, even without a phase transition. Here, to clarify the underlying mechanism, the spectral function at nonzero temperature is studied. By considering…
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…
We study the temperature dependence of energy diffusion in two chaotic gapped quantum spin chains, a tilted-field Ising model and an XZ model, using an open system approach. We introduce an energy imbalance by coupling the chain to thermal…
We study slip-avalanches in two-dimensional soft athermal disks by quasi-static simulations of simple shear deformations. Sharp drops in shear stress, or slip-avalanches, are observed intermittently during steady state. Such the stress drop…
Starting from an ideal crystalline state, we numerically study a nonequilibrium dynamical order- disorder transition promoted by the application of a periodic shearing protocol at low temperatures in model systems in two and three…
We show that the thermodynamic dislocation theory (TDT) predicts a scaling relation between stresses, strain rates, and temperatures for steady-state deformations of crystalline solids, and that this relation is accurately obeyed by a wide…
We reformulate the theory of polycrystalline plasticity, in externally driven, nonequilibrium situations, by writing equations of motion for the flow of energy and entropy associated with dislocations. Within this general framework, and…
Rashba spin-orbit coupling significantly modifies the electronic band structure in two-dimensional (2D) van der Waals (vdW) heterobilayers, which may enhance their thermoelectric (TE) properties. In this study, we use first-principles…
We report the discovery of structural phase transitions and superconductivity in the full Heusler compounds $X$Pd$_2$Sn ($X$ = Ti, Zr, Hf), by means of electrical transport, magnetic susceptibility, specific heat and x-ray diffraction…
Solid-state cooling based on i-caloric effects may be an alternative to conventional vapor-compression refrigeration systems. The adiabatic temperature change ($\Delta T_{S}$) is one of the parameters that characterize the i-caloric…
By minimizing a thermodynamic-like potential, we unbiasedly sample the potential energy landscape of soft and frictionless spheres under constant shear stress. We obtain zero-temperature jammed states under desired shear stresses and…
Mesoscopic models play an important role in our understanding of the deformation and flow of amorphous materials. One such description, based on the Shear Transformation Zone (STZ) theory, has recently been re-formulated within a…
By a combination of first-principles calculations and semi-classical Boltzmann transport theory, we investigate the effect of epitaxial strain on the electronic structure and transport properties of PtCoO$_2$ and PdCoO$_2$. In contrast to…
We perform Brownian dynamics simulations of semiflexible colloidal sheets with hydrodynamic interactions and thermal fluctuations in shear flow. As a function of the ratio of bending rigidity to shear energy (a dimensionless quantity we…
We study the low-temperature transport properties of out-of-equilibrium XXZ spin-$1/2$ chains. We consider the protocol where two semi-infinite chains are prepared in two thermal states at small but different temperatures and suddenly…
The effects of shear on energy release rate and mode mixity in a symmetric sandwich beam with isotropic layers and a debond crack at the face sheet/core interface are investigated through a semi-analytic approach based on two-dimensional…
Based on Brownian dynamics simulations, we investigate the thermodynamic signatures of non-equilibrium steady states in a confined colloidal suspensions under shear flow. Specifically, we consider a thin film consisting of charged particles…