相关论文: Accelerated atomistic simulation study on the stab…
(Abridged) We discuss the nonlinear development of the isobaric mode of thermal instability (TI) in the context of the atomic interstellar medium (ISM), in order to assess the ability of TI to establish a well-segregated multi-phase…
We focus on the optimization of neutral atom transport and transfer between optical tweezers, both critical steps towards the implementation of quantum processors and simulators. We consider four different types of experimentally relevant…
Synthetic driving force molecular dynamics simulations were utilized to survey grain boundary mobility in three classes of incoherent {\Sigma}3 twin boundaries: <112>, <110>, and <111> tilt boundaries. These boundaries are faceted on low…
The design, implementation, and performance of a customized carbon atom beam source for the purpose of investigating solid-state reaction routes in interstellar ices in molecular clouds are discussed. The source is integrated into an…
Neutral silicon-carbon divacancy (V$_{Si}$V$_{C}$) in cubic silicon carbide (3C-SiC) is a promising class of point defects for quantum technologies based on active crystalline centers. Within the theoretical framework of spin-polarized…
We present a self-consistent one-dimensional (1D) quantum transport simulator based on the Contact Block Reduction (CBR) method, aiming for very fast and robust transport simulation of 1D quantum devices. Applying the general CBR approach…
Using holographic duality, we investigate the impact of finite temperature on the instability and splitting patterns of quadruply quantized vortices, providing the first-ever analysis in this context. Through linear stability analysis, we…
Atomistic rigid lattice Kinetic Monte Carlo is an efficient method for simulating nano-objects and surfaces at timescales much longer than those accessible by molecular dynamics. A laborious part of constructing any Kinetic Monte Carlo…
The intra-band tunneling of a Bose-Einstein condensate between three degenerate high-symmetry X-points of the Brillouin zone of a cubic optical lattice is studied in the quantum regime by reduction to a three-mode model. The mean-field…
We simulate the collision of atomic clusters with a weakly attractive surface using molecular dynamics in a regime between soft-landing and fragmentation, where the cluster undergoes large deformation but remains intact. As a function of…
We study the low-temperature behavior of a simple cluster-crystal forming system through simulation. The phase behavior is found to be hybrid between the Gaussian core and penetrable sphere models. The system additionally exhibits a series…
(abridged) The ICM has been suggested to be buoyantly unstable in the presence of magnetic field and anisotropic thermal conduction. We perform first cosmological simulations of galaxy cluster formation that simultaneously include magnetic…
We numerically study the fast spatial transport of a trapped Bose-Einstein condensate (BEC) using shortcuts-to-adiabaticity (STA) by counterdiabatic driving (CD). The trapping potential and the required auxiliary potential were simulated as…
The effect of cyclic loading on relaxation dynamics and mechanical properties of metallic glasses is studied using molecular dynamics simulations. We consider the Kob-Andersen three-dimensional binary mixture rapidly cooled across the glass…
We investigate spatial adiabatic passage of a Bose-Einstein condensate in a triple well potential within the three-mode approximation. By rewriting the dynamics in the so-called time-dependent dark/dressed basis, we analytically derive the…
The interplay of interactions and disorder is studied using the Anderson-Hubbard model within the typical medium dynamical cluster approximation. Treating the interacting, non-local cluster self-energy ($\Sigma_c[{\cal \tilde{G}}](i,j\neq…
A dynamic crack will travel in a straight path up to a material-dependent critical speed beyond which its path becomes erratic. Predicting this critical speed and discovering the origin of this instability are two outstanding problems in…
Simulating stiff materials in applications where deformations are either not significant or can safely be ignored is a pivotal task across fields. Rigid body modeling has thus long remained a fundamental tool and is, by far, the most…
Based on density functional theory the noncentrosymmetric superconductor Mo_3Al_2C in its well established {\beta}-Mn type ($P4_{1}32$) crystal structure is investigated. In particular, its thermodynamical and dynamical stabilities are…
We consider a two-dimensional, tangentially active, semi-flexible, self-avoiding polymer to find a dynamical re-entrant transition between motile open chains and spinning achiral spirals with increasing activity. Utilizing probability…