Solvent structure in particle interactions. Part 2.—Forces at short range

1978 ◽  
Vol 74 (0) ◽  
pp. 1116-1125 ◽  
Author(s):  
D. John Mitchell ◽  
Barry W. Ninham ◽  
Bernard A. Pailthorpe
Keyword(s):  
Short Range ◽  
Particle Interactions ◽  
Solvent Structure

scholarly journals Adsorption in Mixtures with Competing Interactions

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4532
Author(s):  
Marek Litniewski ◽  
Alina Ciach
Keyword(s):  
Short Range ◽  
Selective Adsorption ◽  
Similar Amount ◽  
Particle Interactions ◽  
Near Surface ◽  
Gas Density ◽  
Short Range Repulsion ◽  
Adsorbed Layers ◽  
Dynamics Simulations ◽  
Oppositely Charged

A binary mixture of oppositely charged particles with additional short-range attraction between like particles and short-range repulsion between different ones in the neighborhood of a substrate preferentially adsorbing the first component is studied by molecular dynamics simulations. The studied thermodynamic states correspond to an approach to the gas–crystal coexistence. Dependence of the near-surface structure, adsorption and selective adsorption on the strength of the wall–particle interactions and the gas density is determined. We find that alternating layers or bilayers of particles of the two components are formed, but the number of the adsorbed layers, their orientation and the ordered patterns formed inside these layers could be quite different for different substrates and gas density. Different structures are associated with different numbers of adsorbed layers, and for strong attraction the thickness of the adsorbed film can be as large as seven particle diameters. In all cases, similar amount of particles of the two components is adsorbed, because of the long-range attraction between different particles.

scholarly journals Translation-invariant quasi-free states for fermionic systems and the BCS approximation

2014 ◽  
Vol 26 (07) ◽  
pp. 1450012 ◽  
Author(s):  
Gerhard Bräunlich ◽  
Christian Hainzl ◽  
Robert Seiringer
Keyword(s):  
Critical Temperature ◽  
Short Range ◽  
Chemical Potential ◽  
Energy Functional ◽  
Particle Interactions ◽  
Translation Invariant ◽  
Fermionic Systems

We study translation-invariant quasi-free states for a system of fermions with two-particle interactions. The associated energy functional is similar to the BCS functional but also includes direct and exchange energies. We show that for suitable short-range interactions, these latter terms only lead to a renormalization of the chemical potential, with the usual properties of the BCS functional left unchanged. Our analysis thus represents a rigorous justification of part of the BCS approximation. We give bounds on the critical temperature below which the system displays superfluidity.

scholarly journals Equilibration in the Nosé-Hoover Isokinetic Ensemble: Effect of Inter-Particle Interactions

2017 ◽  
Author(s):  
Shamik Gupta ◽  
Stefano Ruffo
Keyword(s):  
Kinetic Energy ◽  
Long Range ◽  
Momentum Distribution ◽  
Short Range ◽  
Dynamic Properties ◽  
System Size ◽  
Average Kinetic Energy ◽  
Particle Interactions ◽  
Gaussian Form ◽  
Long Range Interactions

We investigate the stationary and dynamic properties of the celebrated Nosé-Hoover dynamics of many-body interacting Hamiltonian systems, with an emphasis on the effect of inter-particle interactions. To this end, we consider a model system with both short- and long-range interactions. The Nosé-Hoover dynamics aims to generate the canonical equilibrium distribution of a system at a desired temperature by employing a set of time-reversible, deterministic equations of motion. A signature of canonical equilibrium is a single-particle momentum distribution that is Gaussian. We find that the equilibrium properties of the system within the Nosé-Hoover dynamics coincides with that within the canonical ensemble. Moreover, starting from out-of-equilibrium initial conditions, the average kinetic energy of the system relaxes to its target value over a size-independent timescale. However, quite surprisingly, our results indicate that under the same conditions and with only long-range interactions present in the system, the momentum distribution relaxes to its Gaussian form in equilibrium over a scale that diverges with the system size. On adding short-range interactions, the relaxation is found to occur over a timescale that has a much weaker dependence on system size. This system-size dependence of the timescale vanishes when only short-range interactions are present in the system. An implication of such an ultra-slow relaxation when only long-range interactions are present in the system is that macroscopic observables other than the average kinetic energy when estimated in the Nosé-Hoover dynamics may take an unusually long time to relax to its canonical equilibrium value. Our work underlines the crucial role that interactions play in deciding the equivalence between Nosé-Hoover and canonical equilibrium.

Domain coarsening by grain boundary migration in ordered Ni4Mo

1986 ◽  
Vol 44 ◽  
pp. 560-561
Author(s):  
K. Vasudevan ◽  
H. P. Kao ◽  
C. R. Brooks ◽  
E. E. Stansbury
Keyword(s):  
Grain Boundary ◽  
Grain Boundaries ◽  
Short Range ◽  
Boundary Migration ◽  
Grain Boundary Migration ◽  
Rapid Cooling ◽  
Temperature Range ◽  
Fee Structure ◽  
Domain Coarsening ◽  
Boundary Reaction

The Ni4Mo alloy has a short-range ordered fee structure (α) above 868°C, but transforms below this temperature to an ordered bet structure (β) by rearrangement of atoms on the fee lattice. The disordered α, retained by rapid cooling, can be ordered by appropriate aging below 868°C. Initially, very fine β domains in six different but crystallographically related variants form and grow in size on further aging. However, in the temperature range 600-775°C, a coarsening reaction begins at the former α grain boundaries and the alloy also coarsens by this mechanism. The purpose of this paper is to report on TEM observations showing the characteristics of this grain boundary reaction.

Ordering in Ni4Mo by TEM and APFIM

1987 ◽  
Vol 45 ◽  
pp. 214-215
Author(s):  
E.A. Kenik ◽  
T.A. Zagula ◽  
M.K. Miller ◽  
J. Bentley
Keyword(s):  
Electron Irradiation ◽  
Low Temperatures ◽  
Short Range ◽  
Atom Probe ◽  
Range Order ◽  
Considerable Time ◽  
Probe Field ◽  
Disordered Phase ◽  
Transmission Electron ◽  
Diffraction Patterns

The state of long-range order (LRO) and short-range order (SRO) in Ni4Mo has been a topic of interest for a considerable time (see Brooks et al.). The SRO is often referred to as 1½0 order from the apparent position of the diffuse maxima in diffraction patterns, which differs from the positions of the LRO (D1a) structure. Various studies have shown that a fully disordered state cannot be retained by quenching, as the atomic arrangements responsible for the 1½0 maxima are present at temperatures above the critical ordering temperature for LRO. Over 20 studies have attempted to identify the atomic arrangements associated with this state of order. A variety of models have been proposed, but no consensus has been reached. It has also been shown that 1 MeV electron irradiation at low temperatures (∼100 K) can produce the disordered phase in Ni4Mo. Transmission electron microscopy (TEM), atom probe field ion microscopy (APFIM), and electron irradiation disordering have been applied in the current study to further the understanding of the ordering processes in Ni4Mo.

Early Education in Short-Range Historical Perspective

1969 ◽  
Vol 14 (8) ◽  
pp. 437-438
Author(s):  
CELIA STENDLER LAVATELLI
Keyword(s):  
Short Range ◽  
Historical Perspective ◽  
Early Education
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