Results 261 to 270 of about 131,449 (311)

Transitioning model potentials to real systems

Molecular Physics, 1999
The parameters of two pair potentials that describe argon over its entire liquid phase at a fixed pressure were optimized through a novel application of constant temperature and pressure molecular dynamics (NPT-MD) and Monte Carlo (NPT-MC) computer simulations. The forms of these potentials were those of a modified Lennard-Jones potential and a Lennard-
SCOTT D. BEMBENEK, BETSY M. RICE
openaire   +2 more sources

Interatomic Potentials in Transition Metals

2023
Abstract In this chapter, multi-ion quantum-based interatomic potentials are derived for transition metals with partially filled d bands, using the full density-functional power of generalized pseudopotential theory (GPT). Central to this treatment is the development of a rigorous multi-ion d-state potential series through the level of ...
openaire   +1 more source

Interatomic potentials in transition metals

Radiation Effects, 1980
Abstract The different roles played by the valence s and d electrons in determining the bulk properties of pure transition metals is described. In the light of this the expected behaviour of the inert gas-metal and metal-metal interatomic potentials is discussed.
openaire   +1 more source

Effective Potential and Phase Transitions

2020
We study the one loop effective potentials in field theory at zero and finite temperatures. The evolution of the Higgs potential at finite temperature shows that the electroweak symmetry breaking was not a first order phase transition which implies that any existing baryon asymmetry which was present in the universe was washed out by sphalerons in the ...
openaire   +1 more source

Energy Transitions and Potentials for Democratic Change

2018
This chapter sets forth the critical (in)sight made possible by the book’s inquiry into current conduct of energy transition. Placing the sights derived from our inquiry side by side, it shows that ‘renewable energy resource’, ‘market’, ‘economic instrument’, ‘technological demonstration’, ‘scale’, and ‘horizon’ should all be regarded as constructed ...
Labussiere, Olivier, Nadaï, Alain
openaire   +2 more sources

Weak Binding Potentials and Wetting Transitions

Journal of Low Temperature Physics, 1998
We present ab initio calculations of the adsorption potentials V(Z) of inert gases and hydrogen on the surfaces of various metals. The ratio of the adsorption well depth to that of the adsorbate pair potential is ∼ 3.5, 2, 1.5, 1, 0.9 and 0.9 for adsorption on Mg, Li, Na, K, Rb, and Cs, respectively, with some variation between gases (always smallest ...
A. Chizmeshya, M. W. Cole, E. Zaremba
openaire   +1 more source

The Potential For Transit Standards

SAE Technical Paper Series, 1976
<div class="htmlview paragraph">There is little doubt that there is a desire for transit standards to assist in decision making across the entire range of planning, designing, constructing and operating the transit system. Even discussing this broad range is difficult, since both the breadth and depth of potential application areas for standards ...
openaire   +1 more source

First-Principles Interatomic Potentials in Transition Metals

Physical Review Letters, 1985
The first ab initio theory of structure-independent interatomic potentials in $d$-electron transition metals has been developed from a multi-ion expansion of the total energy within the density-functional formalism. Explicit results for the volume term and two-ion and three-ion potentials entering this expansion have been obtained and successfully ...
openaire   +2 more sources

How does ridesourcing substitute for public transit? A geospatial perspective in Chengdu, China

, 2020
The explosive growth of ridesourcing services has stimulated a debate on whether they represent a net substitute for or a complement to public transit. Among the empirical evidence that supports discussion of the net effect at the city level, analysis at
Hui Kong, Xiaohu Zhang, Jinhuan Zhao
semanticscholar   +1 more source

Interaction Potentials and Transition Probabilities

1982
Calculation of the angular differential cross section (for comparison with experiment or for use when experimental data are not available) requires a description of the interaction between the two colliding particles. This endeavor has kept physicists and chemists busy since the beginning of the century, the description being complicated by the fact ...
openaire   +1 more source