Related papers: Predicting phase transition pressure in solids: a …
The approximate representation of a quantum solid as an equivalent composite semi-classical solid is considered for insulating materials. The composite is comprised of point ions moving on a potential energy surface. In the classical bulk…
Supersolids are theoretically predicted quantum states that break the continuous rotational and translational symmetries of liquids while preserving superfluid transport properties. Over the last decade, much progress has been made in…
First-principles density-functional method is used to study the recently high-pressure synthesized compound PtC. It is confirmed by our calculations that the platinum carbide has a zinc-blende ground-state phase at zero pressure and the…
We have considered a model of a small finite system with internal particles and surface degrees of freedom. All the main statistical distributions were explicitly obtained, on a pre thermodynamic limit basis. The concept of temperature or…
The transport properties of an ionic model for liquid silica at high temperatures and pressure are investigated using molecular dynamics simulations. With increasing pressure, a clear change from "strong" to "fragile" behaviour (according…
Superconductivity in the simple elements is of both technological relevance and fundamental scientific interest in the investigation of superconductivity phenomena. Recent advances in the instrumentation of physics under pressure have…
The structural and dynamic properties of silica melts under high pressure are studied using molecular dynamics (MD) computer simulation. The interactions between the ions are modeled by a pairwise-additive potential, the so-called CHIK…
Lattice mismatch can substantially impact the spatial organization of heterogeneous materials. We examine a simple model for lattice-mismatched solids over a broad range of temperature and composition, revealing both uniform and spatially…
Identifying the atomic structure and properties of solid hydrogen under high pressures is a long-standing problem of high-pressure physics with far-reaching significance in planetary and materials science. Determining the…
This paper is a brief journey into the amazing realm of crystalline color superconductors. Starting from a qualitative description of superfluids, superconductors and supersolids, we show how inhomogeneous phases may arise when the system…
We have applied the Andreev-Lifshitz hydrodynamic theory of supersolids to an ordinary solid. This theory includes an internal pressure $P$, distinct from the applied pressure $P_a$ and the stress tensor $\lambda_{ik}$. Under uniform static…
The crystal structure of solid oxygen at low temperatures and at pressures up to 7 GPa is studied by theoretical calculations. In the calculations, the adiabatic potential of the crystal is approximated by a superposition of pair-potentials…
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…
Making use of the energetics and equations of state of defective uranium dioxide that calculated with first-principles method, we demonstrate a possibility of constraining the formation energy of point defects by measuring the transition…
The dynamics of phase transitions plays a crucial r\^ole in the so-called interface between high energy particle physics and cosmology. Many of the interesting results generated during the last fifteen years or so rely on simplified…
Plasmonic excitations behave fundamentally different in layered materials in comparison to bulk systems. They form gapless modes, which in turn couple at low energies to the electrons. Thereby they can strongly influence superconducting…
We study a special kind of semiclassical limit of quantum dynamics on a circle and in a box (infinite potential well with hard walls) as the Planck constant tends to zero and time tends to infinity. The results give detailed information…
States supported by chaotic open quantum systems fall into two categories: a majority showing instantaneous ballistic decay, and a set of quantum resonances of classically vanishing support in phase space. We present a theory describing…
In this work we describe the thermodynamics and mechanism of CO$_2$ polymorphic transitions under pressure from form I to form III combining standard molecular dynamics, well-tempered metadynamics and committor analysis. We find that the…
Current theory is able to predict the Casimir force between macroscopic bodies with an accuracy only limited by the knowledge of the material parameters. Yet surprisingly after almost 70 years of research, while theory describes the Casimir…