Related papers: Thermomechanical conversion in metals: dislocation…
When a material is plastically deformed the majority of mechanical work is dissipated as heat, and the fraction of plastic work converted into heat is known as the Taylor-Quinney coefficient (TQC). Large-scale molecular dynamics simulations…
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…
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 present a thermodynamic description of crystal plasticity. Our formulation is based on the Langer-Bouchbinder-Lookman thermodynamic dislocation theory (TDT), which asserts the fundamental importance of an effective temperature that…
The thermodynamic dislocation theory presented in preceding papers is used here to describe shear-banding instabilities. Central ingredients of the theory are a thermodynamically defined effective configurational temperature, and a formula…
The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must…
Electron-ion interactions play a central role for the energy relaxation processes and ultra-fast structure dynamics in laser-heated matter. The accurate prediction of the electron-ion energy exchange in a transient excited two-temperature…
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…
The electron-phonon interaction contribution to the electronic energies is included in density functional total energy calculations with ab initio pseudopotentials via the Allen formalism [Phys. Rev. B 18, 5217 (1978)] to obtain temperature…
The mechanical behaviors of polycrystalline solids are determined by the interplay between phenomena governed by two different thermodynamic temperatures: the configurational effective temperature that controls the density of dislocations,…
A simple extension of the thermodynamic dislocation theory to non-uniform plastic deformations is proposed for an analysis of high-temperature torsion of aluminum bars. Employing a small set of physics-based parameters, which we expect to…
A geometrically nonlinear theory for field dislocation thermomechanics based entirely on measurable state variables is proposed. Instead of starting from an ordering-dependent multiplicative decomposition of the total deformation gradient…
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…
An analysis of the processes of plastic deformation and acoustic relaxation in a high-entropy alloy Al$_{0.5}$CoCrCuFeNi was carried out. The following have been established: dominant dislocation defects; types of barriers that prevent the…
To analyze nonidealities inherent to degenerate plasma, a quantum collective approach is developed. Thermodynamic functions of a system of partially degenerate electrons and strongly coupled ions are derived from first principles. The model…
Understanding temperature-dependent hardness of covalent materials is not only of fundamental scientific interest, but also of crucial importance for technical applications. In this work, a temperature-dependent hardness formula for…
With the development of electronic structure theory, a new class of materials - quantum ones has been recognized by the community. Traditionally, it has been believed that the properties of such compounds cannot be described within the…
The thermodynamic dislocation theory developed for non-uniform plastic deformations is used here in an analysis of a bar subjected to torsion. Employing a small set of physics-based parameters, which we expect to be approximately…
We study symmetric nuclear matter at finite temperature, with particular emphasis on the liquid-gas phase transition. We use a standard covariance analysis to propagate statistical uncertainties from the density functional to the…
Thermoelectricity refers to the conversion of thermal energy into electrical energy and vice-versa, which relies on three main effects: Seebeck, Peltier and Thomson, all of which are manifestations of heat and electricity flow. In this work…