" Extended Ensemble Monte Carlo " is a generic term that indicates a set of algorithms which are now being popular in a variety of fields in physics and statistical information processing. Exchange Monte Carlo (Metropolis-Coupled Chain, Parallel Tempering), Simulated Tempering (Expanded Ensemble Monte Carlo), and Multicanonical Monte Carlo (Adaptive Umbrella Sampling) are typical members of thi...

In view of the fact that three kinds of phase transformations, i.e. aneutectoid decomposition β→ α+γ2, an ordering transformation β→ β1, and a martensitic transformation β1→ β' have been observed on isothemlal holding and cooling at different rates from the β region in Cu-Al binary alloys, the author has tried to obtain the T/T/T diagrams in order to show the correlations between these three tr...

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An innovative replica exchange (parallel tempering) method called replica exchange with solute tempering (REST) for the efficient sampling of aqueous protein solutions is presented here. The method bypasses the poor scaling with system size of standard replica exchange and thus reduces the number of replicas (parallel processes) that must be used. This reduction is accomplished by deforming the...

We study the dynamics of parallel tempering simulations, also known as the replica exchange technique, which has become the method of choice for simulation of proteins and other complex systems. Recent results for the optimal choice of the control parameter discretization allow a treatment independent of the system in question. Analyzing mean first passage times across control parameter space, ...

In this study we propose a unified multi-scale chemo-mechanical description of the BCT (Body-Centered Tetragonal) to BCC (Body-Centered Cubic) order-disorder transition in martensitic steel by adding the mechanical degrees of freedom to the standard CALPHAD (CALculation of PHAse Diagrams) type Gibbs energy description. The model takes into account external strain, the effect of carbon compositi...

Material mechanical behavior is critical for both safety and economic considerations. Because engineering items are manufactured using appropriate grade materials, approval of the materials used must be completed before assembly. Petrochemicals, marine, biomaterials just a few industries that use stainless steel. Despite its extensive use, structural failure still frequently caused by inadequat...

• Two auditors: one to ask open questions, the other as witness and scribe. • Interview staff individually, establishing their knowledge of trial procedures and incident. Note conflicting information. • Establish key facts: 1. Were participants real and eligible? 2. Did they consent? 3. Are test/clinical measurements/data valid? 4. Was appropriate treatment/intervention given? 5. Was follow-up ...