Related papers: Parameterization of Stillinger-Weber Potential for…
We evaluate the free energy of the fluid and crystal phases for the ST2 potential [F.H. Stillinger and A. Rahman, J. Chem. Phys. 60, 1545 (1974)] with reaction field corrections for the long-range interactions. We estimate the phase…
Calculations of elastic and mechanical characteristics of non-crystalline solids are challenging due to high computation cost of $ab$ $initio$ methods and low accuracy of empirical potentials. We propose a computational technique towards…
Simulations of nematic-isotropic transition of liquid crystals in two dimensions are performed using an O(2) vector model characterised by non linear nearest neighbour spin interaction governed by the fourth Legendre polynomial $P\_4$. The…
We have developed a systematic approach to calculate the correlation function for spin-1/2 particles, incorporating both central and noncentral components of the interparticle interaction. This is achieved by extending the variable phase…
We report a general description of quasi-phase-matched parametric process in nonlinear photonic crystals (NLPC) by extending the conventional X-ray diffraction theory in solids. Under the virtual wave approximation, phase-matching resonance…
We describe one-dimensional photonic crystals that support a guided mode suitable for atom trapping within a unit cell, as well as a second probe mode with strong atom-photon interactions. A new hybrid trap is analyzed that combines optical…
In the field of quantum computation and communication there is a compelling need for quantum-coherent frequency conversion between microwave electronics and infra-red optics. A promising platform for this is an optomechanical crystal…
In spite of remarkable developments in the field of advanced materials, silicon remains one of the foremost semiconductors of the day. Of enduring relevance to science and technology is silicon's nanomechanical behaviour including phase…
We have constructed a scanning tunneling potentiometry system capable of simultaneously mapping the transport-related electrochemical potential of a biased sample along with its surface topography. Combining a novel sample biasing technique…
In this article we present a method to compute the scattering states of holes in spherical bands in the strong spin-orbit coupling regime. More precisely, we calculate scattering phase shifts and amplitudes of holes induced by defects in a…
Molecule- and particle-based simulations provide the tools to test, in microscopic detail, the validity of classical nucleation theory. In this endeavour, determining nucleation mechanisms and rates for phase separation requires an…
In this paper the relaxed micromorphic continuum model with weighted free and gradient micro-inertia is used to describe the dynamical behavior of a real two-dimensional phononic crystal for a wide range of wavelengths. In particular, a…
Chemical potential is an effective way to drive phase transition or express wettability. In this letter, we present a chemical-potential-based lattice Boltzmann model to simulate multiphase flows. The nonideal force is directly evaluated by…
The paper discusses the problem of stability of a two-component plasma and proposes a consistent consideration of quantum and long-range effects to calculate the thermodynamic properties of such a plasma. We restrict ourselves by the case…
Distance-dependent phase shifts, amplitude functions, and radial wave functions for neutron-alpha elastic scattering are studied using the Variable Phase Approach. The microscopic KKNN potential is employed to calculate scattering…
To enable new nonlinear responses, metamaterials are created by organizing structural units (meta-atoms) which are typically on the scale of about a hundred nanometers. However, truly altering atomic symmetry and enabling new nonlinear…
We propose a method for measuring entangled vibronic quantum states of a trapped atom. It is based on the nonlinear dynamics of the system that appears by resonantly driving a weak electronic transition. The proposed technique allows the…
As with many parts of the natural sciences, machine learning interatomic potentials (MLIPs) are revolutionizing the modeling of molecular crystals. However, challenges remain for the accurate and efficient calculation of sublimation…
Nuclear matter at large number of colors is necessarily in a solid phase. In particular holographic nuclear matter takes the form of a crystal of instantons of the flavor group. In this article we initiate the analysis of the…
Conversion of mechanical forces to electric signal is possible in non-centrosymmetric materials due to linear piezoelectricity. The extraordinary mechanical properties of two-dimensional materials and their high crystallinity make them…