We introduce the well-tempered ensemble (WTE) which is the biased ensemble sampled by well-tempered metadynamics when the energy is used as collective variable. WTE can be designed so as to have approximately the same average energy as the canonical ensemble but much larger fluctuations. These two properties lead to an extremely fast exploration of phase space. An even greater efficiency is obt...

In order to enhance the mechanical strength of Low-E glass, Fluorine-doped tin oxide (FTO) films have to be tempered at high temperatures together with glass substrates. The effects of tempering temperature (600 °C ~ 720 °C) and time (150 s ~  300 s) on the structural and electrical properties of FTO films were investigated. The results show all the films consist of non-stoichiometric, polycrys...

In this article we address the problem of the nonlinear interaction of subdiffusive particles. We introduce the random walk model in which statistical characteristics of a random walker such as escape rate and jump distribution depend on the mean density of particles. We derive a set of nonlinear subdiffusive fractional master equations and consider their diffusion approximations. We show that ...

Recent work has shown that bainitic ferrite plates produced by transformation at low temperatures can be as thin as 20 nm with a hardness in excess of 650 HV30, tensile strengthy2.3 GPa and toughnessy30 MPa m. Because these properties rely on the fine scale of the microstructure, a study has been carried out in relation to the tempering resistance of steel over the temperature range 350 – 750uC...

the aim of the present study was to investigate the effect of quenching and tempering temperatures on themicrostructure, mechanical properties and the wear characteristics of medium carbon-high chromium wear resistantsteel. in addition, the dominant wear mechanisms were studied. for this purpose, austenitizing and temperingtemperatures were selected in the ranges of 900- 1000 °c and 300- 500 °c...

This paper reports results of in-house experimentation on heat treatment and mechanical testing of H13 tool steel. Heat treatment strategy practiced by the industry is described in detail. Effect of various types of heat treatment on fracture toughness, hardness and other mechanical properties is also analyzed. It was found that toughness (expressed in terms of plane-strain fracture toughness K...

High-silicon steels have long been known to possess exceptional resistance to tempering, but the reasons for this effect were unknown. We report here a study of the third stage of tempering of these steels, in which cementite is formed. In a 0.75 wt% C 1.4 wt% Si alloy steel, tempered for 1 hour at 380°C, it is found that silicon atoms are rejected from the growing cementite into the ferrite ma...

Generation of equilibrium configurations is the major obstacle for numerical investigation of the slow dynamics in supercooled liquid states. The parallel tempering (PT) technique, originally proposed for the numerical equilibration of discrete spin-glass model configurations, has recently been applied in the study of supercooled structural glasses. We present an investigation of the ability of...

Ivan C. Rankenburg and Veit Elser Abstract We demonstrate a new algorithm for finding protein conformations that minimize a non-bonded energy function. The new algorithm, called the difference map, seeks to find an atomic configuration that is simultaneously in two constraint spaces. The first constraint space is the space of atomic configurations that have a valid peptide geometry, while the s...