Nasr M. Ghoniem

Bio: Nasr M. Ghoniem is an academic researcher from University of California, Los Angeles. The author has contributed to research in topics: Dislocation & Plasticity. The author has an hindex of 44, co-authored 328 publications receiving 7069 citations. Previous affiliations of Nasr M. Ghoniem include University of California, Berkeley & Los Alamos National Laboratory.

Parametric dislocation dynamics: A thermodynamics-based approach to investigations of mesoscopic plastic deformation

Abstract: A thermodynamics-based variational method is developed to establish the equations of motion for three-dimensional (3D) interacting dislocation loops. The approach is appropriate for investigations of plastic deformation at the mesoscopic scale by direct numerical simulations. A fast sum technique for determination of elastic field variables of dislocation ensembles is utilized to calculate forces acting on generalized coordinates of arbitrarily curved loop segments. Each dislocation segment is represented by a parametric space curve of specified shape functions and associated degrees of freedom. Kinetic equations for the time evolution of generalized coordinates are derived for general 3D climb/glide motion of curved dislocation loops. It is shown that the evolution equations for the position $(\mathbf{P}),$ tangent $(\mathbf{T}),$ and normal $(\mathbf{N})$ vectors at segment nodes are sufficient to describe general 3D dislocation motion. When crystal structure constraints are invoked, only two degrees of freedom per node are adequate for constrained glide motion. A selected number of applications are given for: (1) adaptive node generation on interacting segments, (2) variable time-step determination for integration of the equations of motion, (3) dislocation generation by the Frank-Read mechanism in fcc, bcc, and dc crystals, (4) loop-loop deformation and interaction, and (5) formation of dislocation junctions.

Dislocation dynamics. I. A proposed methodology for deformation micromechanics.

Abstract: A new methodology in computational micromechanics, dislocation dynamics (DD), is introduced. Dislocation dynamics is developed for examining the dynamic behavior of dislocation distributions in solid materials. Under conditions of externally applied stress, dislocations exhibit glide with a velocity proportional to a power of the applied stress ${\mathrm{\ensuremath{\sigma}}}^{\mathit{m}}$ and climb motion with a velocity that is a function of the applied stress and temperature. These motions result from long-range force fields, comprising both externally applied stress and long-range interactions between individual dislocations. Short-range reactions are represented as discrete events. The DD methodology is to be differentiated from particle methods in statistical mechanics (e.g., molecular dynamics and the Monte Carlo method) in two respects. First, DD is developed to study the dynamical behavior of ``defects'' in the solid. Generally, the density of defects is less than that of the particles that make up the solid. Second, the small number of dislocations allows for a complete dynamical representation of the evolution of dislocations in the material medium without the requirement of statistical averaging. The purpose of the DD methodology is to bridge the gap between experimentally observed phenomena and theoretical descriptions of dislocation aggregates, particularly the evolution of self-organized dislocation structures under temperature, stress, and irradiation conditions.

Fast-sum method for the elastic field of three-dimensional dislocation ensembles

Abstract: The elastic field of complex shape ensembles of dislocation loops is developed as an essential ingredient in the dislocation dynamics method for computer simulation of mesoscopic plastic deformation. Dislocation ensembles are sorted into individual loops, which are then divided into segments represented as parametrized space curves. Numerical solutions are presented as fast numerical sums for relevant elastic field variables (i.e., displacement, strain, stress, force, self-energy, and interaction energy). Gaussian numerical quadratures are utilized to solve for field equations of linear elasticity in an infinite isotropic elastic medium. The accuracy of the method is verified by comparison of numerical results to analytical solutions for typical prismatic and slip dislocation loops. The method is shown to be highly accurate, computationally efficient, and numerically convergent as the number of segments and quadrature points are increased on each loop. Several examples of method applications to calculations of the elastic field of simple and complex loop geometries are given in infinite crystals. The effect of crystal surfaces on the redistribution of the elastic field is demonstrated by superposition of a finite-element {ital image force} field on the computed results. {copyright} {ital 1999} {ital The American Physical Society}

I and i

Abstract: There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality. Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

Fast parallel algorithms for short-range molecular dynamics

Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Pattern formation outside of equilibrium

Abstract: A comprehensive review of spatiotemporal pattern formation in systems driven away from equilibrium is presented, with emphasis on comparisons between theory and quantitative experiments. Examples include patterns in hydrodynamic systems such as thermal convection in pure fluids and binary mixtures, Taylor-Couette flow, parametric-wave instabilities, as well as patterns in solidification fronts, nonlinear optics, oscillatory chemical reactions and excitable biological media. The theoretical starting point is usually a set of deterministic equations of motion, typically in the form of nonlinear partial differential equations. These are sometimes supplemented by stochastic terms representing thermal or instrumental noise, but for macroscopic systems and carefully designed experiments the stochastic forces are often negligible. An aim of theory is to describe solutions of the deterministic equations that are likely to be reached starting from typical initial conditions and to persist at long times. A unified description is developed, based on the linear instabilities of a homogeneous state, which leads naturally to a classification of patterns in terms of the characteristic wave vector q0 and frequency ω0 of the instability. Type Is systems (ω0=0, q0≠0) are stationary in time and periodic in space; type IIIo systems (ω0≠0, q0=0) are periodic in time and uniform in space; and type Io systems (ω0≠0, q0≠0) are periodic in both space and time. Near a continuous (or supercritical) instability, the dynamics may be accurately described via "amplitude equations," whose form is universal for each type of instability. The specifics of each system enter only through the nonuniversal coefficients. Far from the instability threshold a different universal description known as the "phase equation" may be derived, but it is restricted to slow distortions of an ideal pattern. For many systems appropriate starting equations are either not known or too complicated to analyze conveniently. It is thus useful to introduce phenomenological order-parameter models, which lead to the correct amplitude equations near threshold, and which may be solved analytically or numerically in the nonlinear regime away from the instability. The above theoretical methods are useful in analyzing "real pattern effects" such as the influence of external boundaries, or the formation and dynamics of defects in ideal structures. An important element in nonequilibrium systems is the appearance of deterministic chaos. A greal deal is known about systems with a small number of degrees of freedom displaying "temporal chaos," where the structure of the phase space can be analyzed in detail. For spatially extended systems with many degrees of freedom, on the other hand, one is dealing with spatiotemporal chaos and appropriate methods of analysis need to be developed. In addition to the general features of nonequilibrium pattern formation discussed above, detailed reviews of theoretical and experimental work on many specific systems are presented. These include Rayleigh-Benard convection in a pure fluid, convection in binary-fluid mixtures, electrohydrodynamic convection in nematic liquid crystals, Taylor-Couette flow between rotating cylinders, parametric surface waves, patterns in certain open flow systems, oscillatory chemical reactions, static and dynamic patterns in biological media, crystallization fronts, and patterns in nonlinear optics. A concluding section summarizes what has and has not been accomplished, and attempts to assess the prospects for the future.

Formation of hollow nanocrystals through the nanoscale Kirkendall effect

Abstract: Hollow nanocrystals can be synthesized through a mechanism analogous to the Kirkendall Effect, in which pores form because of the difference in diffusion rates between two components in a diffusion couple. Starting with cobalt nanocrystals, we show that their reaction in solution with oxygen and either sulfur or selenium leads to the formation of hollow nanocrystals of the resulting oxide and chalcogenides. This process provides a general route to the synthesis of hollow nanostructures of a large number of compounds. A simple extension of the process yielded platinum-cobalt oxide yolk-shell nanostructures, which may serve as nanoscale reactors in catalytic applications.