The probability to predict correctly a protein structure can be enhanced through introduction of spatial constraints - either from NMR experiments or from homologous structures. However, the additional constraints lead often to new local energy minima and worse sampling efficiency in simulations. In this work, we present a new parallel tempering variant that alleviates the energy barriers resul...

Purpose. Production of steel with controlled austenitic transformation during operation the 4Х4Н5М4Ф2 grade (without forging treatment) using technology electroslag remelting and establishing optimal modes heat treatment (annealing, quenching tempering). tools (matrices) from for hot deformation aluminum alloy at operating temperatures below critical point A1.
 Research methods. Metallogra...

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...

The aim of the present study was to investigate the effect of quenching and tempering temperatures on the microstructure, mechanical properties and the wear characteristics of medium carbon-high chromium wear resistant steel. In addition, the dominant wear mechanisms were studied. For this purpose, austenitizing and tempering temperatures were selected in the ranges of 900- 1000 °C and 300- 500...

Intermittent drying is a satisfactory technique for drying of heat sensitive grains especially rough rice. This method consists of two separate stages applied intermittently: drying and tempering. In this work, intermittent drying of rough rice is investigated both theoretically and experimentally. In order to characterize this process; a multi-scale model consisting of macroscopic and microsco...

We give conditions under which a Markov chain constructed via parallel or simulated tempering is guaranteed to be rapidly mixing, which are applicable to a wide range of multimodal distributions arising in Bayesian statistical inference and statistical mechanics. We provide lower bounds on the spectral gaps of parallel and simulated tempering. These bounds imply a single set of sufficient condi...

The present paper explores a simple approach to the question of parallel tempering temperature selection. We argue that to optimize the performance of parallel tempering it is reasonable to require that the increase in entropy between successive temperatures be uniform over the entire ensemble. An estimate of the system's heat capacity, obtained either from experiment, a preliminary simulation,...

to investigate the effect of tempering treatment on mechanical properties and the microstructure ofdin 1.4021 martensitic stainless steel, austenite treatment was conducted for the samples at 1000ºc temperature for 60 min and then the samples were oil quenched. later, tempering treatments wereperformed for the samples at 500 ºc and 700 ºc temperatures for 2 and 5 h, respectively; then quenching...