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Applied Sciences, ISSN 2076-3417, 08/2019, Volume 9, Issue 17, p. 3455
The prediction of fracture and material failure is of major importance for the safety and reliability of engineering structures and the efficient design of... 
n/a
Journal Article
Carbon, ISSN 0008-6223, 12/2019, Volume 155, pp. 727 - 733
Carbon nanotubes (CNTs) are a candidate electrode material for lithium-ion batteries (LIBs). Tailoring CNTs to shorter tubes with open ends can enhance the... 
Carbon nanotubes (CNTs) | Molecular dynamics (MD) | Lithium adsorption | Carbon nanobelt (CNB) | Density functional theory (DFT)
Journal Article
Journal of Physics and Chemistry of Solids, ISSN 0022-3697, 12/2019, Volume 135, p. 109115
Twin graphene is a new allotrope of carbon that exhibits semiconducting properties. In the present work, structural and electronic properties of BN co-doped... 
Density functional theory | Density of states | Twin graphene | Electronic band structure | Twin graphene-like BN-C sheets
Journal Article
Computer Methods in Applied Mechanics and Engineering, ISSN 0045-7825, 01/2017, Volume 313, pp. 239 - 258
This paper presents a design methodology based on a combination of isogeometric analysis (IGA), level set and point wise density mapping techniques for... 
Topology optimization | Flexoelectricity | Level set | Isogeometric analysis (IGA) | Micro-nanostructure | Dielectrics | Analysis | Differential equations | Electric properties
Journal Article
Composites Part B, ISSN 1359-8368, 07/2019, Volume 168, pp. 496 - 510
Nonlocal higher order electro-elastic bending analysis of a piezoelectric doubly curved nano shell is studied in this paper based on nonlocal elasticity theory... 
Doubly curved piezoelectric nano shells | Nonlocal parameter | Applied electric potential | Higher order shear deformation theory
Journal Article
Computational Materials Science, ISSN 0927-0256, 04/2019, Volume 160, p. 360
The atomic structure of single layer transition metal-dichalcogenides (TMDs) like two-dimensional Vanadium dichalcogenides (VS.sub.2 and VSe.sub.2) with... 
Transition metal compounds | Adsorption | Vanadium | Density functionals | Chemical properties | Batteries | Electric properties
Journal Article
International Journal for Numerical Methods in Engineering, ISSN 0029-5981, 12/2016, Volume 108, Issue 12, pp. 1451 - 1476
Journal Article
2018, Lecture Notes in Mechanical Engineering, ISBN 9789811071485
This book provides an overview of state-of-the-art methods in computational engineering for modeling and simulation. This proceedings volume includes a... 
Computer mathematics | Engineering | Mechanics, Applied | Mechanics | Physics
Web Resource
Journal of Materials Chemistry A, ISSN 2050-7488, 2018, Volume 6, Issue 23, pp. 11022 - 11036
Most recently, boron–graphdiyne, a π-conjugated two-dimensional (2D) structure made from a merely sp carbon skeleton connected with boron atoms was... 
First principles | Electronic properties | Calcium | Molecular dynamics | Stability analysis | High temperature | Charge materials | Molecular chains | Nanoelectronics | Ion storage | Boron | Electrode materials | Dynamic tests | Optical properties | Dynamic stability | Predictions | Thermal conductivity | Density functional theory | Anodes | Heat transfer | Energy storage
Journal Article
Carbon, ISSN 0008-6223, 04/2015, Volume 85, pp. 1 - 7
We developed a combined atomistic-continuum hierarchical multiscale approach to explore the effective thermal conductivity of graphene laminates. To this aim,... 
LAYER GRAPHENE | MOLECULAR-DYNAMICS | NANOCOMPOSITES | CARBON | ELASTIC PROPERTIES | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | THERMAL-CONDUCTIVITY | Boron nitride | Graphene | Laminated materials | Analysis | Graphite | Electric properties | Molecular dynamics | Models | Heat conduction | Conduction | Computer simulation | Thermal conductivity | Laminates | Heat transfer
Journal Article
Computer Methods in Applied Mechanics and Engineering, ISSN 0045-7825, 01/2020, Volume 358, p. 112621
A nonlocal operator method is proposed which is generally applicable for solving partial differential equations (PDEs) of mechanical problems. The nonlocal... 
Dual-support | Operator energy functional | Nonlocal strong form | Variational principles | Nonlocal operators
Journal Article
Computer Methods in Applied Mechanics and Engineering, ISSN 0045-7825, 12/2019, Volume 357, p. 112599
The solution spaces of isogoemetric analysis (IGA) constructed from degree basis functions allow up to continuity within one patch. However, for a multi-patch... 
Isogeometric analysis | Extraordinary vertex | Minimal determining set | [formula omitted] coupling
Journal Article
Computer Methods in Applied Mechanics and Engineering, ISSN 0045-7825, 04/2018, Volume 332, pp. 47 - 62
We present a computational design methodology for topology optimization of multi-material-based flexoelectric composites. The methodology extends our recently... 
Topology optimization | Flexoelectricity | B-spline elements | Level set | Multi-material | DESIGN | SHAPE | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | MECHANICS | ENGINEERING, MULTIDISCIPLINARY | NETWORKS | FLAWS | Research institutes | Mechanical engineering | Analysis | Differential equations | Physics - Computational Physics
Journal Article
Engineering Geology, ISSN 0013-7952, 07/2017, Volume 225, pp. 42 - 48
We present a dual-horizon peridynamics (DH-PD) formulation for fracture in granular and rock-like materials. In contrast to discrete crack methods such as... 
Artificial damping | Mohr-Coulomb model | Brittle fracture | Quasi-static | Contact | MESHFREE METHOD | ALGORITHM | MODEL | DEFORMATION | MECHANICS | GEOSCIENCES, MULTIDISCIPLINARY | CRACK-GROWTH | ENGINEERING, GEOLOGICAL | PROPAGATION | Analysis | Rock mechanics
Journal Article