Search results for " annealing"
showing 10 items of 95 documents
Inverse simulated annealing for the determination of amorphous structures
2013
We present a new and efficient optimization method to determine the structure of disordered systems in agreement with available experimental data. Our approach permits the application of accurate electronic structure calculations within the structure optimization. The new technique is demonstrated within density functional theory by the calculation of a model of amorphous carbon.
Domain-Knowledge Optimized Simulated Annealing for Network-on-Chip Application Mapping
2013
Network-on-Chip architectures are scalable on-chip interconnection networks. They replace the inefficient shared buses and are suitable for multicore and manycore systems. This paper presents an Optimized Simulated Annealing (OSA) algorithm for the Network-on-Chip application mapping problem. With OSA, the cores are implicitly and dynamically clustered using knowledge about communication demands. We show that OSA is a more feasible Simulated Annealing approach to NoC application mapping by comparing it with a general Simulated Annealing algorithm and a Branch and Bound algorithm, too. Using real applications we show that OSA is significantly faster than a general Simulated Annealing, withou…
Speeding up of microstructure reconstruction: II. Application to patterns of poly-dispersed islands
2015
We report a fast, efficient and credible statistical reconstruction of any two-phase patterns of islands of miscellaneous shapes and poly-dispersed in sizes. In the proposed multi-scale approach called a weighted doubly-hybrid, two different pairs of hybrid descriptors are used. As the first pair, we employ entropic quantifiers, while correlation functions are the second pair. Their competition allows considering a wider spectrum of morphological features. Instead of a standard random initial configuration, a synthetic one with the same number of islands as that of the target is created by a cellular automaton. This is the key point for speeding-up of microstructure reconstruction, making u…
Statistical Reconstruction of Microstructures Using Entropic Descriptors
2018
We report a multiscale approach of broad applicability to stochastic reconstruction of multiphase materials, including porous ones. The approach devised uses an optimization method, such as the simulated annealing (SA) and the so-called entropic descriptors (EDs). For a binary pattern, they quantify spatial inhomogeneity or statistical complexity at discrete length-scales. The EDs extract dissimilar structural information to that given by two-point correlation functions (CFs). Within the SA, we use an appropriate cost function consisting of EDs or comprised of EDs and CFs. It was found that the stochastic reconstruction is computationally efficient when we begin with a preliminary synthetic…
Packing a trunk - Now with a twist!
2005
In an industry project with a German car manufacturer we are faced with the challenge of placing a maximum number of uniform rigid rectangular boxes in the interior of a car trunk. The problem is of practical importance due to a European industry norm which requires car manufacturers to state the trunk volume according to this measure. No really satisfactory automated solution for this problem has been known in the past. In spite of its NP hardness, combinatorial optimization techniques, which consider only grid-aligned placements, produce solutions which are very close to the one achievable by a human expert in several hours of tedious work. The remaining gap is mostly due to the constrain…
Graphene p-Type Doping and Stability by Thermal Treatments in Molecular Oxygen Controlled Atmosphere
2015
Doping and stability of monolayer low defect content graphene transferred on a silicon dioxide substrate on silicon are investigated by micro-Raman spectroscopy and atomic force microscopy (AFM) during thermal treatments in oxygen and vacuum controlled atmosphere. The exposure to molecular oxygen induces graphene changes as evidenced by a blue-shift of the G and 2D Raman bands, together with the decrease of I2D/IG intensity ratio, which are consistent with a high p-type doping (∼1013 cm-2) of graphene. The successive thermal treatment in vacuum does not affect the induced doping showing this latter stability. By investigating the temperature range 140-350 °C and the process time evolution, …
An efficient proposal for the application of simulated annealing algorithms
2014
Complex nonlinear optimization problems require specific resolution techniques. These problems are often characterized by a solution space that presents many local optima. In these cases, local search algorithms, as the classical descent neighborhood search method, have a heavy drawback: the optimization algorithm generally converges towards a local minimum. To avoid getting trapped in a local minimum, the optimization algorithm must allow to accept worse solutions than the current one. Several kinds of algorithms have been ideated for this purpose and they differ for the acceptance criteria of a pejorative solution. Among such algorithms it is possible to remember the Taboo Search (TS) and…
Reconstruction of random media using Monte Carlo methods.
1998
A simulated annealing algorithm is applied to the reconstruction of two-dimensional porous media with prescribed correlation functions. The experimental correlation function of an isotropic sample of Fontainebleau sandstone and a synthetic correlation function with damped oscillations are used in the reconstructions. To reduce the numerical effort we follow a proposal suggesting the evaluation of the correlation functions only along certain directions. The results show that this simplification yields significantly different microstructures as compared to a full evaluation of the correlation function. In particular, we find that the simplified reconstruction method introduces an artificial a…
Simulated annealing with restrained molecular dynamics using a flexible restraint potential: Theory and evaluation with simulated NMR constraints
1996
A new functional representation of NMR-derived distance constraints, the flexible restraint potential, has been implemented in the program CONGEN (Bruccoleri RE, Karplus M, 1987, Biopolymers 26:137-168) for molecular structure generation. In addition, flat-bottomed restraint potentials for representing dihedral angle and vicinal scalar coupling constraints have been introduced into CONGEN. An effective simulated annealing (SA) protocol that combines both weight annealing and temperature annealing is described. Calculations have been performed using ideal simulated NMR constraints, in order to evaluate the use of restrained molecular dynamics (MD) with these target functions as implemented i…
Quantum Random Walks – New Method for Designing Quantum Algorithms
2008
Quantum walks are quantum counterparts of random walks. In the last 5 years, they have become one of main methods of designing quantum algorithms. Quantum walk based algorithms include element distinctness, spatial search, quantum speedup of Markov chains, evaluation of Boolean formulas and search on "glued trees" graph. In this talk, I will describe the quantum walk method for designing search algorithms and show several of its applications.