相关论文: Engineered Defects to Modulate Fracture Strength o…
Two-dimensional (2D) transition-metal dichalcogenides (TMDC) are considered highly promising platforms for next-generation optoelectronic devices. Owing to its atomically thin structure, device performance is strongly impacted by a minute…
We present a parameterization of the Stillinger-Weber potential to describe the interatomic interactions within single-layer MoS2 (SLMoS2). The potential parameters are fitted to an experimentally-obtained phonon spectrum, and the resulting…
The fracture toughness of Al/SiC nanolaminates with different layer thicknesses (in the range 10 to 100 nm) was measured by means of micropillar splitting and bending of a notched beam. The crack plane was perpendicular to the layers in the…
Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optical properties of transition metal dichalcogenide monolayers.…
Layered molecular materials and especially MoS2 are already accepted as promising candidates for nanoelectronics. In contrast to the bulk material, the observed electron mobility in single-layer MoS2 is unexpectedly low. Here we reveal the…
We study experimentally the fracture mechanisms of a model cohesive granular medium consisting of glass beads held together by solidified polymer bridges. The elastic response of this material can be controlled by changing the cross-linking…
Fracture growth in a material is strongly influenced by the presence of inhomogeneities, which deviate crack trajectories from rectilinearity and deeply affect failure. Increasing crack tortuosity is connected to enhancement of fracture…
Atomic-scale investigation on mechanical behaviors is highly necessary to fully understand the fracture mechanics especially of brittle materials, which are determined by atomic-scale phenomena (e.g., lattice trapping). Here, exfoliated…
The shear strength of a pre-cracked sandwich layer is predicted, assuming that the layer is linear elastic or elastic-plastic, with yielding characterized by either J2 plasticity theory or by a strip-yield model. The substrates are elastic…
Mechanical metamaterials with engineered failure properties typically rely on periodic unit cell geometries or bespoke microstructures to achieve their unique properties. We demonstrate that intelligent use of disorder in metamaterials…
The widespread use of sodium aluminosilicate glass in many engineering applications due to its mechanical and optical properties (transparency, dielectric, etc.), has become common in recent years. However, glass, a brittle material, has…
The frictional and wear performance of molybdenum disulfide (MoS2) is significantly influenced by its intrinsic arrangement of crystals or crystallinity. In this study, we investigate the effect of crystallinty on coefficient of friction…
We determined frictional figures of merit for a pair of layered honeycomb nanostructures, such as graphane, fluorographene, MoS$_2$ and WO$_2$ moving over each other, by carrying out ab-initio calculations of interlayer interaction under…
The sensitive dependence of electronic and thermoelectric properties of MoS$_2$ on the applied strain opens up a variety of applications in the emerging area of straintronics. Using first principles based density functional theory…
Transition-metal dichalcogenides (TMDs) are valuable as solid lubricants because of their layered structure, which allows for easy shearing along the basal planes. Using Density Functional Theory (DFT) we conducted a first-principles study…
Artificially twisted heterostructures of semiconducting transition metal dichalcogenides (TMDs) offer unprecedented control over their electronic and optical properties via the spatial modulation of interlayer interactions and structural…
This paper investigates the optimization of 2D and 3D composite structures using machine learning (ML) techniques, focusing on fracture toughness and crack propagation in the Double Cantilever Beam (DCB) test. By exploring the intricate…
We use all-atom molecular dynamics simulations informed by density functional theory calculations to investigate aqueous ion transport across sub-nanoporous monolayer molybdenum disulfide (MoS$_2$) membranes subject to varying tensile…
Irradiation with high-energy particles has recently emerged as an effective tool for tailoring the properties of two-dimensional transition metal dichalcogenides. In order to carry out an atomically-precise manipulation of the lattice, a…
Van der Waals (vdW) homo-/hetero-structures are ideal systems for studying interfacial tribological properties such as structural superlubricity. Previous studies concentrated on the mechanism of translational motion in vdW interfaces.…