相关论文: Rate Constants for Fine-Structure Excitations in O…
Elliptic flow (v_2) values for identified particles at midrapidity in Au + Au collisions measured by the STAR experiment in the Beam Energy Scan at the Relativistic Heavy Ion Collider at sqrt{s_{NN}}= 7.7--62.4 GeV are presented for three…
Crystal structure optimization is fundamental to materials modeling but remains computationally expensive when performed with density-functional theory (DFT). Machine-learning (ML) approaches offer substantial acceleration, yet existing…
Accurate molecular data for the low-lying states of SiO are computed and used to calculate rate constants for radiative association of Si and O. Einstein A-coefficients are also calculated for transitions between all of the bound and…
The accurate simulation of additional interactions at the ATLAS experiment for the analysis of proton-proton collisions delivered by the Large Hadron Collider presents a significant challenge to the computing resources. During the LHC Run…
Inelastic low-energy (0--1 eV) collisions of electrons with HeH$^+$ cations are treated theoretically, with a focus on the rovibrational excitation and dissociative recombination (DR) channels. In an application of {\it ab initio}…
We introduce a path sampling method for the computation of rate constants for systems with a highly diffusive character. Based on the recently developed algorithm of transition interface sampling (TIS) this procedure increases the…
Uranium dioxide which is used as a fuel in light water nuclear reactors, is continually exposed to radiation damage originated from the collision of high-energy particles. Accumulation of the resulting defects gives rise to the evolution in…
We present a formalism for rigorous calculations of cross sections for inelastic and reactive collisions of ultracold atoms and molecules confined by laser fields in quasi-2D geometry. Our results show that the elastic-to-inelastic ratios…
The time evolution of particle number fluctuations in nuclear collisions at intermediate energies ($E_{\rm lab} = 1.23-10A$ GeV) is studied by means of the UrQMD-3.5 transport model. The transport description incorporates baryonic…
A method is derived to predict the structure of dijet-related hard components of trigger-associated (TA) hadron correlations from p-p collisions based on measured fragmentation functions (FFs) from e-e or p-pbar collisions and a…
The expected signature uniquely determines the law of a random rough path under a moment-growth condition, yet finite-sample bounds for estimating it from a single long dependent trajectory have been lacking. We study a stationary…
New quantum scattering calculations for rotational deexcitation transitions of CO induced by H collisions using two CO-H potential energy surfaces (PESs) from Shepler et al. (2007) are reported. State-to-state rate coefficients are computed…
We present new atomic data (radiative transitions rates and collision strengths) from large scale calculations and a non-LTE spectral model for Fe III. This model is in very good agreement with observed astronomical emission spectra, in…
Dissociative chemisorption is a key process in hydrogen-metal surface chemistry, where nonadiabatic effects due to low-lying electron-hole-pair excitations may affect reaction outcomes. Molecular dynamics with electronic friction…
A combination of first principle molecular dynamics (MD) simulations with a rate equation model (MD-RE approach) is presented to study the trapping and the scattering of rare gas atoms from metal surfaces. The temporal evolution of the atom…
The predictive capability of a plasma discharge model depends on accurate representations of electron-impact collision cross sections, which determine the key reaction rates and transport properties of the plasma. Although many cross…
The tunneling reaction H$_2$ + D$^-$ $\rightarrow$ HD + H$^-$ was studied in a recent experimental work at low temperatures (10, 19, and 23~K) by Endres {\it et al.}, Phys. Rev. A {\bf 95}, 022706 (2017). An upper limit of the rate…
We present exponential error estimates and demonstrate an algebraic convergence rate for the homogenization of level-set convex Hamilton-Jacobi equations in i.i.d. random environments, the first quantitative homogenization results for these…
Hanbury-Brown-Twiss (HBT) correlations for charged pions in central Au+Au collisions at $\sqrt{s_\mathrm{NN}}=2.4 - 7.7~\text{GeV}$ (corresponding to beam kinetic energies in the fixed target frame from…
Simulation of frictional contact and shear failure of fractures in fractured media is of paramount important in computational mechanics. In this work, a preconditioned mixed-finite element (FE) scheme with Lagrange multipliers is proposed…