Finding the ground state of a system with a complex energy landscape is important for many physical problems including protein folding, spin glasses, chemical clusters, and neural networks. Such problems are usually solved by heuristic search methods whose efficacy is judged by empirical performance on selected examples. We present a proof that, within the large class of algorithms that simulat...

Finding the ground state of a system with a complex energy landscape is important for many physical problems including protein folding, spin glasses, chemical clusters, and neural networks. Such problems are usually solved by heuristic search methods whose efficacy is judged by empirical performance on selected examples. We present a proof that, within the large class of algorithms that simulat...

ABSTRACT: We report on the catalyst-free growth of graphene from amorphous carbon (a-C) by current-induced annealing. This is a novel mechanism that we could witness by in-situ transmission electron microscopy and simulate with molecular dynamics calculations. We observe that small a-C clusters on a graphene substrate rearrange and crystallize into graphene patches due to the high temperatures ...

We have implemented the serial replica exchange method (SREM) and simulated tempering (ST) enhanced sampling algorithms in a global distributed computing environment. Here we examine the helix-coil transition of a 21 residue alpha-helical peptide in explicit solvent. For ST, we demonstrate the efficacy of a new method for determining initial weights allowing the system to perform a random walk ...

In the tube drawing process, there are a bunch of parameters which play key role in process performance. Thus, finding the optimized parameters is a controversial issue. Current study aimed to produce a squared section of round tube by tube sinking process. To simulate the process finite element method (FEM) was used. Then, to find a meaningful kinship between process input and output parameter...

In order to research the evolution of microstructures and properties SCM435 wire rod after annealing with different initial structures, two kinds microstructure (B+M F+P) rods were used simulate spheroidizing annealing, softening stress relief processes respectively. The results show that under same process conditions, spheroidization grade B+M was 1-2 higher than F+P, while hardness does not d...

In this work, we establish a novel numerical model of total ionizing dose effect and use it to simulate the radiation degradation Si n- metal-oxide-semiconductor field transistor (NMOSFET) under different bias voltages. The is based on capture/emission process traps, used transient characteristics semiconductor devices effect. simulation, changes trapped holes in Si/SiO<sub>2</sub> ...

Simulation is a powerful method in science and engineering. However, simulation is an umbrella term, and its meaning and goals differ among disciplines. Rapid advances in neuroscience and computing draw increasing attention to large-scale brain simulations. What is the meaning of simulation, and what should the method expect to achieve? We discuss the concept of simulation from an integrated sc...

in today’s dynamic market, organizations must be adaptive to market fluctuations. in addition, studies show that material-handling cost makes up between 20 and 50 percent of the total operating cost. therefore, this paper considers the problem of arranging and rearranging, when there are changes in product mix and demand, manufacturing facilities such that the sum of material handling and rearr...