Related papers: Engineered Defects to Modulate Fracture Strength o…
Novel physical phenomena emerge in ultra-small sized nanomaterials. We study the limiting small-size-dependent properties of MoS$_{2}$ monolayer rhombic nanoflakes using density-functional theory on structures of size up to…
This paper presents a framework for modeling failure in quasi-brittle geomaterials under different loading conditions. A micromechanics-based model is proposed in which the field variables are linked to physical mechanisms at the microcrack…
Two-dimensional (2D) molybdenum disulfide (MoS2) holds great promise in electronic and optoelectronic applications owing to its unique structure and intriguing properties. The intrinsic defects such as sulfur vacancies (SVs) of MoS2…
The metastable T' phase in monolayer MoS2 exhibits remarkable persistence despite a strong thermodynamic driving force toward the stable H phase. Using machine learning-accelerated molecular dynamics and first-principles calculations, we…
The thermoelectric properties of MoS2 armchair nanoribbons with different width are studied by using first-principles calculations and Boltzmann transport theory, where the relaxation time is predicted from deformation potential theory. Due…
The crystal structure of MoS$_2$ with strong covalent bonds in plane and weak Van der Waals interactions out of plane gives rise to interesting properties for applications such as solid lubrication, optoelectronics, and catalysis, which can…
This paper presents a computational framework for quasi-static brittle fracture in three dimensional solids. The paper set outs the theoretical basis for determining the initiation and direction of propagating cracks based on the concept of…
Armchair nanotubes of MoS2 and WS2 offer a sizeable band gap, with the advantage of a one dimensional (1D) electronic material, but free from edge roughness and thermodynamic instability of nanoribbons. Use of such semiconducting MX2 (MoS2,…
A three-way coupled thermo-mechanical fracture model is presented to predict the damage of brittle ceramics, in particular {\alpha}-SiC, over a wide range of temperatures (20-1400 C). Predicting damage over such a range of temperatures is…
This paper studies the competition of fracture initiation in the ductile soft phase and in the comparatively brittle hard phase in the microstructure of a two-phase material. A simple microstructural model is used to predict macroscopic…
We investigate fracture toughness of architected interfaces and their ability to maintain structural integrity and provide stable damage propagation conditions beyond the failure load. We propose theoretical and numerical frameworks to…
In this paper we report a molecular dynamics study of the effect of the application of magnetic fields on the morphology of nematic nanobridges of 32000 oblate Gay-Berne particles in slit pores favouring homeotropic anchoring. In absence of…
A two-dimensional lattice model with bond disorder is used to investigate the fracture behaviour under stress-controlled conditions. Although the cumulative energy of precursors does not diverge at the critical point, its derivative with…
We perform fracture experiments on nanoscale phase separated glasses and measure crack surface roughness by atomic force microscopy. The ability of tuning the phase domain size by thermal treatment allows us to test thoroughly the…
Composite materials comprising a porous Ti2AlC matrix and Al 6061 alloy were fabricated by a current-activated pressure assisted melt infiltration process. Coarse, medium and fine meso-structures were prepared with Al alloy filled pores of…
The present work discusses the micro-mechanism of low cycle fatigue (LCF) crack growth in smooth bar specimens of Haynes 282. Two parametric approaches, i.e. crack tip opening angle (CTOA) and maximum tangential stress ({\theta}MTS) have…
We demonstrate that the electrical property of a single layer molybdenum disulfide (MoS2) can be significantly tuned from semiconducting to insulating regime via controlled exposure to oxygen plasma. The mobility, on-current and resistance…
While CNTs are found to have ultra high stiffness and strength, an enormous scatter is also observed in available laboratory results. This paper studies the effects of randomly distributed Stone Wales (SW or 5 7 7 5) defects on the…
Polylactic acid (PLA) nanofibrous networks have gained substantial interest across various engineering and scientific disciplines, such as tissue engineering, drug delivery, and filtration, due to their unique and multifunctional…
The presence of interfaces and grain boundaries significantly impacts the mechanical properties of materials, particularly when dealing with micro- or nano-scale samples. Distinct interactions between dislocations and grain boundaries can…