Hybrid evolutionary approach for material design: search for superhard materials
نویسندگان
چکیده
منابع مشابه
The search for novel , superhard materials
The recent development in the field of superhard materials with Vickers hardness of >40 GPa is reviewed. Two basic approaches are outlined including the intrinsic superhard materials, such as diamond, cubic boron nitride, C3N4, carbonitrides, etc. and extrinsic, nanostructured materials for which superhardness is achieved by an appropriate design of their microstructure. The theoretically predi...
متن کاملEvolutionary search for superhard materials: Methodology and applications to forms of carbon and TiO2
We have developed a method for prediction of the hardest crystal structures in a given chemical system. It is based on the evolutionary algorithm USPEX (Universal Structure Prediction: Evolutionary Xtallography) and electronegativity-based hardness model that we have augmented with bond-valence model and graph theory. These extensions enable correct description of the hardness of layered, molec...
متن کاملCombined electronic structure and evolutionary search approach to materials design.
We show that density functional theory calculations have reached an accuracy and speed making it possible to use them in conjunction with an evolutionary algorithm to search for materials with specific properties. The approach is illustrated by finding the most stable four component alloys out of the 192 016 possible fcc and bcc alloys that can be constructed out of 32 different metals. A numbe...
متن کاملthe search for the self in becketts theatre: waiting for godot and endgame
this thesis is based upon the works of samuel beckett. one of the greatest writers of contemporary literature. here, i have tried to focus on one of the main themes in becketts works: the search for the real "me" or the real self, which is not only a problem to be solved for beckett man but also for each of us. i have tried to show becketts techniques in approaching this unattainable goal, base...
15 صفحه اولHybrid Probabilistic Search Methods for Simulation Optimization
Discrete-event simulation based optimization is the process of finding the optimum design of a stochastic system when the performance measure(s) could only be estimated via simulation. Randomness in simulation outputs often challenges the correct selection of the optimum. We propose an algorithm that merges Ranking and Selection procedures with a large class of random search methods for continu...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2011
ISSN: 0108-7673
DOI: 10.1107/s010876731109372x