相关论文: A Method to Extract Potentials from the Temperatur…
This work gives a van't Hoff law expression of Langmuir constants of different species for determining their occupancy in the nanocavities of clathrate hydrates. The van't Hoff law's parameters are derived from a fit with Langmuir constants…
The process of deriving an interatomic potentials represents an attempt to integrate out the electronic degrees of freedom from the full quantum description of a condensed matter system. In practice it is the derivatives of the interatomic…
Extending to continuous potentials a cleaving wall molecular-dynamics simulation method recently developed for the hard-sphere system [Phys.Rev.Lett 85, 4751 (2000)], we calculate the crystal-melt interfacial free energies, $\gamma$, for a…
We demonstrate that the melting points and other thermodynamic quantities of the alkali metals can be calculated based on static crystalline properties. To do this we derive analytic interatomic potentials for the alkali metals fitted…
The interquark potential in charmonium states is calculated for the first time in both the zero and non-zero temperature phases from a first-principles lattice QCD calculation. Simulations with two dynamical quark flavours were used with…
Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation…
In this short note, we present some work on investigating electron temperatures and potentials in steady or unsteady dilute plasma flows. The analysis is based on the detailed fluid model for electrons. Ionization, normalized electron…
Extending the Feynman-Kleinert variational approach, we calculate the temperature-dependent effective classical potential governing the quantum statistics of a hydrogen atom in a uniform magnetic at all temperatures. The zero-temperature…
We study the thermodynamics of electrode-electrolyte systems, for instance supercapacitors filled with an ionic liquid or blue-energy devices filled with river- or sea water. By a suitable mapping of thermodynamic variables, we identify a…
Laser ablation is often explained by a two-temperature model (TTM) with different electron and lattice temperatures. To realize a classical molecular dynamics simulation of the TTM, we propose an extension of the embedded atom method to…
Simulation results are presented to demonstrate electron temperature and electrical potential development in dilute and cold plasma development. The simulation method is a hybrid method which adopted fluid model for electrons due to their…
In a thermal field theory, the cumulants of the momentum distribution can be extracted from the dependence of the Euclidean path integral on a shift in the fields built into the temporal boundary condition. When combined with the Ward…
We demonstrate that Casimir-Polder potentials can be entirely independent of temperature even when allowing for the thermal photon numbers to become large at the relevant molecular transition frequencies. This statement holds for potentials…
Further thermodynamic investigations into the behaviour of a polar dielectric working fluid under non-equilibrium and negative pressure conditions are reported. The establishment of a long-range van der Waals interaction between clathrate…
The influence of the temperature and its fluctuations on the ion saturation current and the floating potential, which are typical quantities measured by Langmuir probes in the turbulent edge region of fusion plasmas, is analysed by global…
We compute the transport properties of one dimensional interacting electrons, also known as a Luttinger liquid. We show that a renormalization group study allows to obtain the temperature dependence of the conductivity in an intermediate…
We derive Tsallis entropy, Sq, from universal thermostat independence and obtain the functional form of the corresponding generalized entropy-probability relation. Our result for finite thermostats interprets thermodynamically the subsystem…
Molecular dynamics simulation is employed to understand the thermodynamic behavior of cuboctahedron (cub) and icosahedron (ico) nanoparticles with 2-20 number of shells (55-28741 atoms). The embedded atom method was used to describe the…
The charmonium states at non-zero temperature are studied on anisotropic lattices with 2 dynamical quark flavours. Non-local operators are used to determine the Nambu-Bethe-Salpeter (NBS) wavefunctions via both conventional fitting methods…
We report the infrared dielectric properties of $\alpha$-quartz in the temperature range from $1.5\ \mathrm{K}$ to $200\ \mathrm{K}$. Using an infrared free-electron laser, far-infrared reflectivity spectra of a single crystal $y$-cut were…