相关论文: A Search for Alternative Solid Rocket Propellant O…
Several amorphous silicon structures were generated using a classical molecular dynamics (MD) protocol of melting and quenching with different quenching rates. An analysis of the calculated electronic properties of these structures revealed…
In this paper, we present a new calculation of composition-dependent radiative cooling and heating curves of low-density gas, intended primarily for use in numerical simulations of galaxy formation and evolution. These curves depend on only…
The rotational transitions of carbon monoxide (CO) are the primary means of investigating the density and velocity structure of the molecular interstellar medium. Here we study the lowest four rotational transitions of CO towards…
This paper describes how automatically generated detailed kinetic mechanisms are obtained for the oxidation of alkanes and how these models could lead to a better understanding of autoignition and cool flame risks at elevated conditions.…
[ABRIDGED] We examine the velocity structure in the gas associated with \ion{H}{1} in the damped Ly$\alpha$ absorption system at redshift $z=1.7764$ towards the QSO $1331+170$ using 21cm data, optical and STIS spectra. We find at least two,…
We simulate the formation of $sp$ carbon chains (carbynes) by thermal decomposition of $sp^2$ carbon heated by a hot discharge plasma, by means of tight-binding molecular dynamics. We obtain and analyze the total quantity of carbynes and…
Contrails have recently gained widespread attention due to their large and uncertain estimates of effective radiative forcing, i.e., warming effect on the planet, comparable to those of carbon dioxide. To study this aircraft-induced cloud…
Simultaneous analyses are performed for cross section data of elastic scattering, fusion, Coulomb breakup, and other direct yields for the $^{6}$He+$^{209}$Bi system at near-Coulomb-barrier energies. The bare and dynamical polarization…
Molecular oxygen has been detected in the coma of comet 67P/Churyumov-Gerasimenko with abundances in the 1-10% range by the ROSINA-DFMS instrument on board the Rosetta spacecraft. Here we find that the radiolysis of icy grains in…
In an effort to extend the reach of current ab initio calculations to simulations requiring millions of configurations for complex systems such as heterostructures, we have parameterized the third-generation Charge Optimized Many-Body…
Fuels dispersed with engineered nanoparticle additives, or nanofuels, are desirable for the vastly different combustion properties such as combustion rate and ignition delay they exhibit compared to base fuels. The stability of such…
Living systems routinely consume energy to achieve motility, often using intricate biomolecular machinery. In this work, we show that active droplets can sustain indefinite self-propulsion of a spherical colloid in an otherwise homogeneous,…
The detections of atomic hydrogen, heavy atoms and ions surrounding the extrasolar giant planet (EGP) HD209458b constrain the composition, temperature and density profiles in its upper atmosphere. Thus the observations provide guidance for…
The discovery of superconductivity with onset temperature of ~80 K in pressurized bilayer Ruddlesden-Popper La3Ni2O7-d has attracted much attention. Despite intense research, determination of the exact oxygen content and understanding of…
A laser-driven spin-polarized 3He2+ beam source for nuclear-physics experiments and for the investigation of polarized nuclear fusion demands a high-density polarized 3He gas-jet target. Such a target requires a magnetic system providing a…
This paper presents new results which may constitute a breakthrough in the effort to develop fuel cells truly suitable for use in cars and trucks. For decades, researchers have known that the alkaline fuel cell (AFC) is much cheaper to…
The Particle Flow Algorithms adopted for future $e^{+}e^{-}$ colliders detectors and phase-II CMS upgrade require very high granularity calorimeters to deconvolve the individual contributions of particles in jets. This is especially true…
Li$_{10}$Ge(PS$_6$)$_2$ (LGPS) is a highly concentrated solid electrolyte, in which Coulombic repulsion between neighboring cations is hypothesized as the underlying reason for concerted ion hopping, a mechanism common among superionic…
This paper introduces a new platform to accelerate the modeling of complex aerothermochemical interactions in new turbomachines, turbo-reactors, to decarbonise chemical processes. While previous work has aerothermally demonstrated the…
The binding energy of A3C60, a conductor, is described well by an ionic solid type calculation. This succeeds because there is little overlap between molecular wave functions on neighbouring sites, so that electrons are practically…