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Article
A new type of brittle fracture in a fcc metal bicrystal with intergranular segregation
A new type of brittle fracture was discovered in a Cu–Bi alloy bicrystal with a random misorientation interface. Macroscopically, fracture occurred along the interface with a low-energy release rate of order 5...
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Article
Phase transitions and universality in nonequilibrium steady states of stochastic Ising models
We present results of direct computer simulations and of Monte Carlo renormalization group (MCRG) studies of the nonequilibrium steady states of a spin system with competing dynamics and of the voter model. Th...
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Article
The Misorientation Dependence of the Fracture Behavior of F.C.C. Metal Bicrystals
The ductile versus brittle response of Cu bicrystal interfaces with different misorientations and Bi segregation levels has been investigated. The fracture behavior of the bicrystals and the morphology of the ...
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Article
Finite-size effects at critical points with anisotropic correlations: Phenomenological scaling theory and Monte Carlo simulations
Various thermal equilibrium and nonequilibrium phase transitions exist where the correlation lengths in different lattice directions diverge with different exponentsv ‖,v ⊥: uniaxial Lifshitz points, the Kawasaki...
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Article
Computer simulation of driven diffusive systems with exchanges
The field-driven Kawasaki model with a fractionp admixture of Glauber dynamics is studied by computer simulation:p=0 corresponds to the order-parameter-onserving driven diffusive system, whilep=1 is the equilibri...
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Article
The Directionality of Interfacial Cracking in Bimaterials
Directionality of interfacial cracking resistance in bicrystals has been predicted by a modified Rice-Thomson model and supported by experimental results on Σ9 [110]/(2
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Chapter
New Monte Carlo Methods for Improved Efficiency of Computer Simulations in Statistical Mechanics
In the past few years, new approaches to Monte Carlo simulations have produced substantial improvements in efficiency for both simulation and data analysis. This paper reviews recent developments in simulation...
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Article
Interfacial Cohesion Control by Solute Segregation
Interfacial cohesion is determined by the cohesive energy of the interface. Knowing the segregation energies of solute in the interface and on the adjoining free surfaces and mobilities of segregant atoms, the...
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Article
Chemisorption of Moisture-Induced Hydrogen and the Embrittlement Effects in Transition Metal Aluminides
Based on simple thermodynamic models free energies of chemisorption of water vapor in transition metal aluminides and enthalpies and entropies of formation of solid solutions of hydrogen in the aluminides are ...
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Chapter
New monte carlo methods for improved efficiency of computer simulations in statistical mechanics
In this paper, we have reviewed two complementary new approaches to improve the accuracy and efficiency of Monte Carlo computer simulations in the study of phase transitions. Substantial gains have already bee...
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Chapter and Conference Paper
Cluster Monte Carlo algorithms and their applications
We introduce the Markov chain Monte Carlo method and review the background of the cluster algorithms in statistical physics. One of the first such successful algorithm was developed by Swendsen and Wang eight ...
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Article
Anisotropic finite-size scaling analysis of a two-dimensional driven diffusive system
The standard two-dimensional uniformly driven diffusive model is simulated extensively for much larger systems with a multi-spin coding technique. The nonequilibrium phase transition is analyzed with anisotrop...
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Article
Why L12 intermetallics are brittle and how to make them ductile
Origins of the intrinsic and extrinsic brittleness of L12 intermetallics are analyzed. It is shown that the intrinsic behavior is determined by the dislocation process in the alloy, and that the extrinsic behavio...
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Chapter and Conference Paper
Ising Relaxation Dynamics: Series Expansion and Monte Carlo Simulation
The critical relaxation of the 2D Ising model is studied by series expansion in time t and by Monte Carlo simulation. Estimates from a 12-th order series Padé analysis for the dynamical critical exponent are comp...
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Chapter and Conference Paper
Bone Cement Porosity in Vacuum Mixing Systems
It is believed that the porosity of orthopedic bone cement influences the long-term mechanical stability and thus survival of joint prostheses. Various studies have shown that pores within the cement are detri...
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Chapter
Internal Hydrogen-induced Embrittlement in Iron Single Crystals
A thermodynamic model for internal hydrogen-induced embrittlement (HIE) in single crystals is proposed. The model is based on the assumption that the ductile versus brittle transition is controlled by the comp...
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Article
Transition Matrix Monte Carlo Method
We present a formalism of the transition matrix Monte Carlo method. A stochastic matrix in the space of energy can be estimated from Monte Carlo simulation. This matrix is used to compute the density of states...
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Chapter and Conference Paper
Efficient Monte Carlo Simulation Methods in Statistical Physics
The basic problem in equilibrium statistical mechanics is to compute phase space average, in which Monte Carlo method plays a very important role. We begin with a review of nonlocal algorithms for Markov chain...
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Article
Modeling generalized stacking faults in Au using the tight-binding potential combined with a simulated annealing method
The tight-binding potential combined with a simulated annealing method is used to study the generalized stacking fault (GSF) structure and corresponding energy of gold. The potential is chosen to fit band stru...
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Article
Factors affecting the static shear strength of the prosthetic stem–bone cement interface
Debonding of the stem–cement interface has been implicated in the initiation of failure of cemented femoral stems. The objective of this work was to examine some of the parameters which influence the interface...
