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Showing 1 to 18 of 18 for “"pair potential"”.
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Current flow in inhomogeneous superconductors
… is examined in a number of problems in which the pair potential of the superconductor can vary spatially. We examine approximate solutions to the Bogoliubov equations in the limits that the pair potential, ~('f), varies quickly or slowly compared to a coherence length, ~ (T), to see how well such …
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Semiclassical approaches to Quantal Andreev Billiards and Other Topics in Inhomogeneous Superconductivity
… idea that sign-variations in the superconducting pair-potential lead to low-energy states is extended beyond its original setting of boundary scattering to the broader context of scattering by general single-particle potentials. The index-theoretic origin of these states is exhibited via a …
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Physics-based point placement by particle dynamics simulation
… and repulsion forces based on the Lennard-Jones pair potential and a simplified particle dynamics simulation. This method produces smooth distributions of points which accurately correspond to desired scalar spacing fields. Resulting point distributions are triangulated using Lawson's algorithm …
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Thermodynamic modeling of martensitic transformations in shape memory alloys.
… part of this work, an effective interaction potential (EIP) model is developed for the SMA AuCd. EIPs are atomic interaction potentials that are explicit functions of temperature. In particular, the Morse pair potential is used and its adjustable coefficients are taken to be temperature …
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Formation of uniform particles: Morphology and colloidal stability, and stable particle growth during precipitation from titanium alkoxides
… morphology during precipitation: interaction potentials of the precipitates and the nature of depositing species. A short range repulsive force is found to be required to explain the particles colloidal behavior. Under certain conditions, a solvation minimum develops in the pair potential …
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A computational study of germanium dioxide
… dioxide. These have been done with interatomic pair potentials developed with the aid of a fitting procedure. Results for the crystalline modifications and the glassy state are presented. This includes static and dynamic properties of the GeO$_{2}$ modifications. Germanium dioxide is an …
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The Atomic-scale Finite Element Method for Analyzing Mechanical Behavior of Carbon Nanotube and Quartz
… The frameworks of AFEM not only for multi-body potential but also pair potential are presented. Finally, AFEM was applied to analyze and interpret the mechanical behavior of a carbon nanotube and a quartz. The buckling behavior of carbon nanotube showed a good agreement with the results …
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Quasiparticle bound states in normal metal/superconductor structures probed by scanning tunneling microscopy
… the vertical and lateral variation of the pair potential $\Delta$ inside the superconductor. We find that a severe suppression occurs which is beyond the conventional theory. We believe that this effect arises from the short coherence length of the superconductor, so that the spatial …
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The Bogoliubov equations and their application to a normal-superconducting boundary
… Bogo1iubov equations are used to investigate the pair potential and the electronic excitations associated with a norma1- superconducting boundary in an extreme type I superconductor, The method of the Bogoliubov equations has three advantages, for this calculation, over other methods: (1) the …
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A quantum Monte Carlo study of the high-pressure phases of solid hydrogen
… a mean-field calculation coupled with standard pair potential terms to achieve the most accurate results to date. Equally accurate results were realized for calculations in the disparate insulating molecular and metallic atomic regime. We performed a study of the possible ground state structures …
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Molecular dynamics simulation : an investigation into the short range structure of metaphosphate glasses
… and metal networks were determined from pair, cumulative and bond angle distribution functions as well as identifying the types of oxygen ions found within the networks. The short range structure was validated by comparing the results obtained from the simulations to structural properties …
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Solution and Adsorption Characterization of Novel Water-Soluble Ionic Block Copolymers for Stabilization of Magnetite Nanoparticles
… star polymer models for brush extension and pair potential. Block copolymer micelles were first utilized for experimental validation by using the brush extension model to predict the size and the interaction model to predict the second virial coefficient, A2. Subsequently, the models were …
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Structure and interactions of colloidal particles at fluid interfaces
… monolayers depends crucially on the effective pair interaction potential between colloidal particles. In the first part of the thesis, we present two novel methods for extracting the pair potential from the two-dimensional radial distribution function of dense colloidal monolayers. The first is …
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Deep inelastic neutron scattering studies of condensed argon and neon
… Monte Carlo calculations, using a Lennard-Jones potential, are also consistent with my results for <EkfT)>. The groundstate value of <EkfO)>, deduced from the results at finite temperature, is compared to the results of various theoretical calculations. The magnitude and neutron …
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Brownian dynamics study of the self-assembly of ligated gold nanoparticles and other colloidal systems
… model for an effective nanoparticle-nanoparticle pair potential by treating the ligands as flexible polymer chains. Besides van der Waals interactions, we incorporate both the free energy of mixing and elastic contributions from compression of the ligands in our effective pair potentials. The …
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Efficient coarse-grained brownian dynamics simulations for dna and lipid bilayer membrane with hydrodynamic interactions
… E, 82, 011905 (2010)], Yuan et al. proposed a pair-potential between these one-particle-thick coarse-grained lipid particles to capture the mechanical properties of a lipid bilayer membrane, such as gel-fluid-gas phase transitions of lipids, diffusion, and bending rigidity. This dissertation …
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Mechanics of biopolymer networks, stimuli responsive particle suspensions, and their combinations
… suspensions is investigated. The interaction pair-potential between the microgel is temperature-dependent. By increasing concentration of the suspension, a transition from a viscous liquid to an entropic glass to a soft jammed state at low temperatures where the microgels interact via a …
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Modeling mechanical properties – linking atomistics to continuum
… NiTi superelasticity. Using a newly developed pair potential, the compressive load/unload behavior of austenitic NiTi (consisting of B2 lattice) is examined. The material is demonstrated to undergo full strain recover upon 5% of straining. The origin of such deformation recoverability is traced …