Two-dimensional metal structures revealed by evolutionary computations: Pb/Al13Co4(100) as a case study

2022 ◽  
Vol 40 (1) ◽  
pp. 012203
Author(s):  
Florian Brix ◽  
Émilie Gaudry
Keyword(s):  
Two Dimensional ◽  
Evolutionary Computations ◽  
Metal Structures

Effects of spin-phonon coupling on two-dimensional ferromagnetic semiconductors: a case study of iron and ruthenium trihalides

Nanoscale ◽  
2021 ◽  
Author(s):  
Yinqiao Liu ◽  
Qinxi Liu ◽  
Ying Liu ◽  
Xue Jiang ◽  
Xiaoliang Zhang ◽  
...  
Keyword(s):  
Transport Properties ◽  
Data Security ◽  
Thermal Transport ◽  
Magnetic Semiconductors ◽  
Ferromagnetic Semiconductors ◽  
Two Dimensional ◽  
Phonon Coupling ◽  
Thermal Transport Properties

The contributions of spin-phonon coupling (SPC) to spin and thermal transport properties are important in the emerging two-dimensional (2D) magnetic semiconductors and are relevant for the data security and working...

scholarly journals Multi-objective parametrization of interatomic potentials for large deformation pathways and fracture of two-dimensional materials

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Xu Zhang ◽  
Hoang Nguyen ◽  
Jeffrey T. Paci ◽  
Subramanian K. R. S. Sankaranarayanan ◽  
Jose L. Mendoza-Cortes ◽  
...  
Keyword(s):  
Large Deformation ◽  
Functional Form ◽  
Principal Component ◽  
Interatomic Potentials ◽  
Two Dimensional ◽  
Multi Objective ◽  
Multi Objective Genetic Algorithm ◽  
Two Dimensional Materials ◽  
Definition Of

AbstractThis investigation presents a generally applicable framework for parameterizing interatomic potentials to accurately capture large deformation pathways. It incorporates a multi-objective genetic algorithm, training and screening property sets, and correlation and principal component analyses. The framework enables iterative definition of properties in the training and screening sets, guided by correlation relationships between properties, aiming to achieve optimal parametrizations for properties of interest. Specifically, the performance of increasingly complex potentials, Buckingham, Stillinger-Weber, Tersoff, and modified reactive empirical bond-order potentials are compared. Using MoSe2 as a case study, we demonstrate good reproducibility of training/screening properties and superior transferability. For MoSe2, the best performance is achieved using the Tersoff potential, which is ascribed to its apparent higher flexibility embedded in its functional form. These results should facilitate the selection and parametrization of interatomic potentials for exploring mechanical and phononic properties of a large library of two-dimensional and bulk materials.

Numerical Simulation of Inner Support for Excavation Based on FEM Software ABAQUS

2012 ◽  
Vol 236-237 ◽  
pp. 632-635
Author(s):  
Yue Sun ◽  
Yue Nan Chen ◽  
Zhi Yun Wang
Keyword(s):  
Numerical Simulation ◽  
Finite Element ◽  
Computational Model ◽  
Dimensional Space ◽  
General Purpose ◽  
Two Dimensional ◽  
Clay Layer ◽  
Finite Element Software ◽  
Spring Element

In two-dimensional space, an elasto-plastic finite element computational model was established to simulate inner support for excavation on the basis of the general-purpose finite element software ABAQUS. The soil was assumed to be a uniform and normally consolidated clay layer and strut was discreted by spring element. Compared with published case study, it can be concluded that FEM software AQAQUS can present one reliable simulation progress of inner support for excavation.

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