相关论文: Dynamic structure factors of Cu, Ag, and Au: A com…
Recently it has become apparent that event-by-event fluctuations in the initial state of hydrodynamical modelling of ultrarelativistic heavy-ion collisions are crucial in order to understand the full centrality dependence of the elliptic…
The geometric and electronic structures of NaN, CuN, and AgN metal clusters are systematically studied based on the density functional theory over a wide range of cluster sizes 2=<N=<75. A remarkable similarity is observed between the…
Momentum dependent local-ansatz (MLA) wavefunction describes accurately electron correlations from the weak to intermediate Coulomb interaction regimes. We point out that the MLA can describe the correlations from the weak to strong Coulomb…
The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…
Recent investigations of the dynamic compressive strength of cold isostatically pressed composites of polytetrafluoroethylene (PTFE), tungsten (W) and aluminum (Al) powders show significant differences depending on the size of metallic…
We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…
The momentum distribution function (MDF) bands of iron-group transition metals from Sc to Cu have been investigated on the basis of the first-principles momentum dependent local ansatz wavefunction method. It is found that the MDF for $d$…
Quantifying materials' dynamical responses to external electromagnetic fields is central to understanding their physical properties. Here we present an implementation of the density functional perturbation theory for the computation of…
Strong correlation can be essentially captured with multireference wavefunction methods such as complete active space self-consistent field (CASSCF) or density matrix renormalization group (DMRG). Still, an accurate description of the…
Recent improvements in additive manufacturing and high-throughput material synthesis have enabled the discovery of novel metallic materials for extreme environments. However, high-fidelity testing of advanced mechanical properties such as…
Two AdS/CFT based energy loss models are used to compute the suppression and azimuthal correlations of heavy quarks in heavy ion collisions. The model with a velocity independent diffusion coefficient is in good agreement with B and D meson…
Many active materials and biological systems are driven far from equilibrium by embedded agents that spontaneously generate forces and distort the surrounding material. Probing and characterizing these athermal fluctuations is essential for…
We investigate the growth of dynamic heterogeneity in a glassy hard-sphere mixture for volume fractions up to and including the mode-coupling transition. We use an 80 000 particle system to test a new procedure to evaluate a dynamic…
We analyze the recent data from the BRAHMS Collaboration on the pseudorapidity dependence of nuclear modification factors in Au+Au collisions at $\sqrt{s_{NN}}$ = 200 GeV by using the full three dimensional hydrodynamic simulations for the…
We study why gold forms planar and cage-like clusters while copper and silver do not. We use density functional theory and norm-conserving pseudo-potentials with and without a scalar relativistic component. For the exchange-correlation…
Correlation functions, such as static and dynamic structure factors, offer a versatile approach to analyzing atomic-scale structure and dynamics. By having access to the full dynamics from atomistic simulations, they serve as valuable tools…
Combining an electronic theory with molecular dynamics simulations we present results for the ultrafast structural changes in small clusters. We determine the time scale for the change from the linear to a triangular structure after the…
Results from the measurement of dynamical $K/\pi$ and $p/\pi$ ratio fluctuations are presented. Dynamical fluctuations in global conserved quantities such as baryon number, strangeness, or charge may be observed near a QCD critical point.…
We report a new measurement of $D^0$-meson production at mid-rapidity ($|y|$\,$<$\,1) in Au+Au collisions at ${\sqrt{s_{\rm NN}} = \rm{200\,GeV}}$ utilizing the Heavy Flavor Tracker, a high resolution silicon detector at the STAR…
The effect of elastic strains on the catalytic activity for the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) was analyzed on thirteen late transition metals: eight (111) surfaces of fcc metals (Ni, Cu, Pd, Ag,…