相关论文: Engineered Defects to Modulate Fracture Strength o…
Despite numerous experimental and theoretical investigations of the mechanical behavior of high-capacity Si and Ge Li-ion battery anodes, our basic understanding of swelling-driven fracture in these materials remains limited. Existing…
Wrinkles and nanobubbles are an integral and often unavoidable part of integrating 2D van der Waals semiconductors into actual device architectures. Despite their ubiquitous nature, quantitative correlation between such spatially…
We report the results of classical molecular dynamics simulations focused on studying the mechanical properties of MoS$_{2}$ kirigami. Several different kirigami structures were studied based upon two simple non-dimensional parameters,…
Copper nanowires are widely used as on-chip interconnects due to superior conductivity. However, with aggressive Cu interconnect scaling, the diffusive surface scattering of electrons drastically increases the electrical resistivity. In…
In this study, the crack propagation of the pre-cracked mono-crystal nickel with the voids and inclusions has been investigated by molecular dynamics simulations. Different sizes of voids, inclusions and materials of inclusions are used to…
The strengths of glasses are intricately linked to their atomic-level heterogeneity. Atomistic simulations are frequently used to investigate the statistical physics of this relationship, compensating for the limited spatiotemporal…
Fracture phenomena in soft materials span multiple length- and timescales. This poses a major challenge in computational modeling and predictive materials design. To pass quantitatively from molecular- to continuum scales, a precise…
We have investigated nanoscale wear on multilayered MoS2, the flagship transition metal dichalcogenide, by elastically driving sharp diamond tips under normal loads sufficient to induce in-plane fracture. The accompanying friction and the…
Molybdenum disulfide (MoS$_2$) is a promising candidate for 2D nanoelectronic devices, that shows a direct band-gap for monolayer structure. In this work we study the electronic structure of MoS$_2$ upon both compressive and tensile strains…
Monolayer antimonene has drawn the attention of research communities due to its promising physical properties. But mechanical properties of antimonene is still largely unexplored. In this work, we investigate the mechanical properties and…
In our previous paper (Eur. Phys. J. E 4, 121 (2001)) we proposed a coarse-grained elastic energy for nacre, or stratified structure of hard and soft layers. We then analyzed a crack running perpendicular to the layers and suggested one…
The morphology of fracture surfaces encodes the various complex damage and fracture processes occurring at the microstructure scale that have lead to the failure of a given heterogeneous material. Understanding how to decipher this…
Molybdenum disulfide (MoS2) of single and few-layer thickness was exfoliated on SiO2/Si substrate and characterized by Raman spectroscopy. The number of S-Mo-S layers of the samples was independently determined by contact-mode atomic-force…
This study examines the roughness of mechanically cleaved edges in 2D crystals and glasses using molecular dynamics simulations with chemically accurate machine-learning force fields. Our results show that ultra-flat armchair and zigzag…
Fracture behavior in architected materials can be influenced by heterogeneities, yet the mechanisms by which imperfections affect crack propagation remain poorly understood. In this study, we introduce well-controlled, localized defects in…
The band structures of single-layer MoS$_2$ and WS$_2$ present a coupling between spin and valley degrees of freedom that suppresses spin-flip scattering and spin dephasing. Here we show that out-of-plane deformations, such as corrugations…
In this work, we report on the mechanical responses and fracture behavior of pristine and defected monolayer 1T-Titanium Disulfide using classical molecular dynamics simulation. We investigated the effect of temperature, strain rate and…
Natural hard composites like human bone possess a combination of strength and toughness that exceeds that of their constituents and of many engineered composites. This augmentation is attributed to their complex hierarchical structure,…
Polymer composite materials are widely used for their exceptional mechanical properties, notably their ability to resist large deformations. Here we examine the failure stress and strain of rubbers reinforced by varying amounts of…
Local strain engineering is an exciting approach to tune the optoelectronic properties of materials. Two dimensional (2D) materials such as 2D transition metal dichalcogenides (TMDs) are particularly well suited for this purpose because…