scholarly journals Accelerated Optimization Methods for Force‐Field Parametrization in Battery Electrode Manufacturing Modeling

2020 ◽  
Vol 3 (8) ◽  
pp. 721-730 ◽  
Author(s):  
Teo Lombardo ◽  
Jean‐Baptiste Hoock ◽  
Emiliano N. Primo ◽  
Alain C. Ngandjong ◽  
Marc Duquesnoy ◽  
...  
2004 ◽  
Vol 18 (1) ◽  
pp. 41-53 ◽  
Author(s):  
Marcin Król ◽  
Tomasz Borowski ◽  
Irena Roterman ◽  
Barbara Piekarska ◽  
Barbara Stopa ◽  
...  

2018 ◽  
Vol 114 (3) ◽  
pp. 437a
Author(s):  
Andrea Cesari ◽  
Sandro Bottaro ◽  
Giovanni Bussi

2019 ◽  
Vol 15 (9) ◽  
pp. 4982-5000 ◽  
Author(s):  
Poonam Pandey ◽  
Asaminew H. Aytenfisu ◽  
Alexander D. MacKerell ◽  
Sairam S. Mallajosyula

CrystEngComm ◽  
2020 ◽  
Vol 22 (43) ◽  
pp. 7350-7360 ◽  
Author(s):  
Angelo Gavezzotti ◽  
Leonardo Lo Presti ◽  
Silvia Rizzato

A novel, universal Lennard-Jones–Coulomb (LJC) atom–atom force field parametrization reproduces the experimental sublimation enthalpies of 377 molecular crystals drawn from the CSD.


2017 ◽  
Vol 14 (1) ◽  
pp. 255-273 ◽  
Author(s):  
Francesco Fracchia ◽  
Gianluca Del Frate ◽  
Giordano Mancini ◽  
Walter Rocchia ◽  
Vincenzo Barone

Author(s):  
Slawomir Golak ◽  
Mirosław Kordos

Purpose – The attractiveness of functionally graded composites lies in the possibility of a gradual spatial change of their properties such as hardness, strength and wear resistance. The purpose of this paper is to discuss the use of electromagnetic buoyancy to separate the reinforcement particles during the casting process of such a composite. Design/methodology/approach – The basic problem encountered in the process of casting composites is to obtain electromagnetic buoyancy and simultaneously to avoid a flow of the liquid metal which destroys the desired composite structure. In this paper the authors present the methodology of numerical optimization of inductor geometry in order to homogenize the electromagnetic force field distribution. Findings – The optimization method based on searching the solution subspace created by applying knowledge of the modelled process physics proved better than the universal local optimization methods. These results were probably caused by the complex shape of the criterion function hypersurface characterized by the presence of local minima. Practical implications – Due to their characteristics, functionally graded composites are of great interest to the automotive, aerospace and defense industries. In the case of metal matrix composites casting techniques (as the presented one) are the most effective methods of producing functionally graded materials. Originality/value – The paper presents the optimization of a new process of casting functionally graded composites in a low-frequency alternating electromagnetic field. The process involves problems that did not occur previously in the area of electromagnetic processing of materials. The paper proposes the use of special design of inductors to homogenize the electromagnetic force field.


2000 ◽  
Vol 104 (15) ◽  
pp. 3421-3429 ◽  
Author(s):  
Alessandra Villa ◽  
Ugo Cosentino ◽  
Demetrio Pitea ◽  
Giorgio Moro ◽  
Alessandro Maiocchi

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