Cavity point-to-set correlations are real-space tools to detect the roughening of the free-energy landscape that accompanies the dynamical slowdown of glass-forming liquids. Measuring these correlations in model glass formers remains, however, a major computational challenge. Here, we develop a general parallel-tempering method that provides orders-of-magnitude improvement for sampling and equi...

We report an attempt at increasing the thermal stability of nanocrystalline bainite to tempering heat-treatments, by enhancing the silicon concentration of the alloy. Validation experiments have been conducted using synchrotron X-radiation during tempering heat treatment. It is found that the change in alloying successfully stabilises the austenite at elevated temperatures by retarding cementit...

We present results from our study of the Parallel Tempering algorithm. We examine the swapping acceptance rate of a twin subensemble PT system. We use action matching technology in an attempt to maximise the swap acceptance rate. We model the autocorrelation times within Parallel Tempering ensembles in terms of autocorrelation times from Hybrid Monte Carlo. We present estimates for the autocorr...

We obtain upper bounds on the convergence rates of Markov chains constructed by parallel and simulated tempering. These bounds are used to provide a set of sufficient conditions for torpid mixing of both techniques. We apply these conditions to show torpid mixing of parallel and simulated tempering for three examples: a normal mixture model with unequal covariances in RM and the mean-field Pott...

Phase changes in 38-atom Lennard-Jones clusters. II: A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical ensembles Abstract We study the 38-atom Lennard-Jones cluster with parallel tempering Monte Carlo methods in the microcanonical and molecular dynamics ensembles. A new Monte Carlo algorithm is presented that samples rigorously the mol...

Several authors discuss how the simulated tempering scheme provides a very simple mechanism for introducing regenerations within a Markov chain. In this paper we explain how regenerative simulated tempering schemes provide a very natural mechanism for perfect simulation. We use this to provide a perfect simulation algorithm, which uses a single-sweep forward-simulation without the need for recu...

cryogenic treatment can be used as a supplemental treatment that is performed on some tool steels between quenching and tempering as an effective method for decreasing retained austenite and increasing wear resistance. in this research, the effect of deep cryogenic treatment (dct) on dimensional stability and mechanical properties of 80crmo12 5 tool steel was investigated. the martensitic trans...

The relative performances of different implementations of the Wang-Landau method are assessed on two classes of systems with continuous degrees of freedom, namely, two polypeptides and two atomic Lennard-Jones clusters. Parallel tempering Monte Carlo simulations serve as a reference, and we pay particular attention to the variations of the multiplicative factor f during the course of the simula...

We show that the acceptance probability for swaps in the parallel tempering Monte Carlo method for classical canonical systems is given by a universal function that depends on the average statistical fluctuations of the potential and on the ratio of the temperatures. The law, called the incomplete beta function law, is valid in the limit that the two temperatures involved in swaps are close to ...