相关论文: Artificial Material with Negative Thermal Expansio…
We show that under tension, a classical many-body system with only isotropic pair interactions in a crystalline state can, counterintutively, have a negative Poisson's ratio, or auxetic behavior. We derive the conditions under which the…
An interatomic potential (termed EAM-21) has been developed with the embedded atomic method (EAM) for CrFeMnNi quaternary HEAs. This potential is based on a previously developed potential for CrFeNi ternary alloys. The parameters to develop…
Laser ablation is often explained by a two-temperature model (TTM) with different electron and lattice temperatures. To realize a classical molecular dynamics simulation of the TTM, we propose an extension of the embedded atom method to…
The negative thermal expansion (NTE) mechanism in Cu2O has been characterised via mapping of different Cu2O structural flexibility models onto phonons obtained using ab-initio lattice dynamics. Low frequency acoustic modes that are…
We find a design principle for tailoring thermal expansion properties in nearly-spherical molecular networks. Using 2D fullerene networks as a representative system, we realize positive thermal expansion along intermolecular [2\,+\,2]…
Leptogenesis is an attractive scenario in which neutrino masses and baryon asymmetry of the Universe are explained together under a minimal set of assumptions. After formulating the problem of initial conditions and introducing the strong…
Thermal leptogenesis is an attractive mechanism for generating the baryon asymmetry of the Universe. However, in supersymmetric models, the parameter space is severely restricted by the gravitino bound on the reheat temperature $T_{RH}$.…
Understanding various macroscopic pressure-volume-temperature properties of materials on the atomistic level has always been an ambition for physicists and material scientists. Particularly, some materials such as zirconium tungstate…
The Embedded-Atom Model (EAM) provides a phenomenological description of atomic arrangements in metallic systems. It consists of a configurational energy depending on atomic positions and featuring the interplay of two-body atomic…
Within the shoving model of the glass transition, the relaxation time and the viscosity are related to the local cage rigidity. This approach can be extended down to the atomic-level in terms of the interatomic interaction, or potential of…
Tailoring the thermal expansion of martensitic materials by crystallographic texture and anisotropic variation of lattice parameters is a promising route to a flexible design of thermally stable systems. NiTi alloys are prototype materials…
We study and discuss the critical behavior of charged by nonlinear electrodynamics (NED) AdS black holes in an extended phase space. The negative cosmological constant is treated as a thermodynamic pressure and the black hole mass is…
Amorphous carbon nanotubes (a-CNT) with up to four walls and sizes ranging from 200 to 3200 atoms have been simulated, starting from initial random configurations and using the Gaussian Approximation Potential [Phys. Rev. B 95, 094203…
Spatial symmetries and invariances play an important role in the behaviour of materials and should be respected in the description and modelling of material properties. The focus here is the class of physically symmetric and positive…
Inspired by some recent molecular dynamics (MD) simulations and experiments on suspended graphene nanoribbons, we study a simplified model where the atoms are disposed in a rectangular lattice coupled by nearest neighbor interactions which…
In this paper, we study the Joule-Thomson expansion for RN-AdS black holes immersed in perfect fluid dark matter. Firstly, the negative cosmological constant could be interpreted as thermodynamic pressure and its conjugate quantity with the…
Under the fluctuation of the electric charge and atomic mass, this paper considers the theory of the thin film depletion layer formation of an ensemble of finitely excited, non-empty $d/f$-orbital heavy materials, from the thermodynamic…
Atom probe tomography (APT) provides the three-dimensional composition of materials at near-atomic length scales, achieving detection limits in the range of tens of atomic parts-per-million regardless of element type. APT requires the…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
Very weak left/right asymmetry in reflection and transmission is offered by a layer of a topological insulator on top of a layer of an anisotropic dielectric material, but it can be enhanced very significantly by using a periodic multilayer…