Related papers: Classical potential describes martensitic phase tr…
A phonon theory of precursor phenomena in martensitic phase transformations is developed. Extending Gr\"uneisen theory of thermal expansion, this theory addresses the effects of deformation-dependent low-energy phonons on the structural,…
How can a system in a macroscopically stable state explore energetically more favorable states, which are far away from the current equilibrium state? Based on continuum mechanical considerations we derive a Boussinesq-type equation which…
Ti-N material system have range of compounds with different stoichiometry like Ti2N, Ti3N2, Ti6N5, Ti4N3 alongwith Ti , TiN and solid solutions of N in Ti with a maximum of 23% solubility. In this work, we develop an interatomic potential…
We predict the existence of a new ferromagnetic shape memory alloy Ga_2MnNi using density functional theory. The martensitic start temperature (T_M) is found to be approximately proportional to the stabilization energy of the martensitic…
A unified description of i) classical phase transitions and their remnants in finite systems and ii) quantum phase transitions is presented. The ensuing discussion relies on the interplay between, on the one hand, the thermodynamic concepts…
We investigate the thermodynamics and dynamics of the electroweak phase transition by modelling the infrared physics with classical Yang-Mills Higgs theory. We discuss the accuracy of this approach and conclude that, for quantities whose…
Structural and static properties of a classical two-dimensional (2D) system consisting of a finite number of charged particles which are laterally confined by a parabolic potential are investigated by Monte Carlo (MC) simulations and the…
A phenomenological 2D model, simulating the martensitic transformation, is built upon existing experimental observations that the size of the formed plates -in direct transformation- decreases as the temperature is lowered; then they…
The following is a thermodynamic analysis of a III order (and some aspects of a IV order) phase transition. Such a transition can occur in a superconductor if the normal state is a diamagnet. The equation for a phase boundary in an H-T (H…
Discrete interaction models for the classical harmonic oscillator are used for introducing new mathematical generalizations in the usual continuous formalism. The inverted harmonic potential and generalized discrete hyperbolic and…
A three-dimensional phase-field approach to martensitic transformations that uses reaction pathways in place of a Landau potential is introduced and applied to a model of Fe3Ni. Pathway branching involves an unbounded set of variants…
Superconductivity in the recently proposed ground-state structures of atomic metallic hydrogen is investigated over the pressure range 500 GPa to 3.5 TPa. Near molecular dissociation, the electron--phonon coupling $\lambda$ and renormalized…
Quantum-mechanical analysis based on an exact sum rule is used to extract an semiclassical angle-dependent energy function for transition metal ions in biomolecules. The angular dependence is simple but different from existing classical…
We study an experimental setup in which a quantum probe, provided by a quasi-monomode guided atom laser, interacts with a static localized attractive potential whose characteristic parameters are tunable. In this system, classical mechanics…
We study the finite temperature electroweak transition with non-perturbative lattice Monte Carlo simulations. We find that it is of first order, at least for Higgs masses up to 80 GeV. The critical temperature of the phase transition is…
A coupling of the first-order paramagnetic-to-induced-ferromagnetic martensitic and the second-order antiferromagnetic-to-ferromagnetic metamagnetic transitions was found in MnNi0.8Fe0.2Ge alloy. Based on the coupling, a magneto-volume…
Photonic temporal crystals host a variety of intriguing phenomena, from wave amplification and mixing to exotic band structures, all stemming from the time-periodic modulation of optical properties. While these features have been well…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
Density-functional theory forces, stresses and energies comprise a database from which the optimal parameters of a spline-based empirical potential combining Stillinger-Weber and modified embedded-atom forms are determined. Accuracy of the…
Phonon-based approaches and molecular dynamics are widely established methods for gaining access to a temperature-dependent description of material properties. However, when a compound's phase space is vast, density-functional-theory-backed…