Related papers: Three-Dimensional Continuous Multi-Walled Carbon N…
Here, we report measurements of detailed dynamic cohesive properties (DCPs) beyond the dynamic fracture toughness of a bicontinuously nanostructured copolymer, polyurea, under an extremely loading rate, from deep-learning analyses of a…
The demonstration that Nanocrystalline Diamond (NCD) can retain the superior Young's modulus (1,100 GPa) of single crystal diamond twinned with its ability to be grown at low temperatures (<450 {\deg}C) has driven a revival into the growth…
Many promising applications of single crystal diamond and its color centers as sensor platform and in photonics require free-standing membranes with a thickness ranging from several micrometers to the few 100 nm range. In this work, we…
The atomistic simulations of carbon nanotube (CNT) - carbon reinforced composite material are reported. The studied composite samples were obtained by impregnating certain amounts of CNTs (3,3) and (6,6) into pristine graphite matrix. The…
Nanodiamonds containing nitrogen-vacancy (NV) centers can serve as colloidal quantum sensors of local fields in biological and chemical environments. However, nanodiamond surfaces are challenging to modify without degrading their colloidal…
Predicting the mechanics of large structural networks, such as beam-based architected materials, requires a multiscale computational strategy that preserves information about the discrete structure while being applicable to large assemblies…
To delve deeply into the nonlinear large-deformation and fracture behaviors of 2D carbon nanostructures (2D CNs), including bilayer graphene, diamane, and their transitional structures, this paper introduces a multiscale auxiliary nodes…
Depth-guided 3D reconstruction has gained popularity as a fast alternative to optimization-heavy approaches, yet existing methods still suffer from scale drift, multi-view inconsistencies, and the need for substantial refinement to achieve…
Although individual carbon nanotubes (CNTs) are superior as constituents to polymer chains, the mechanical and thermal properties of CNT fibers (CNTFs) remain inferior to commercial synthetic fibers due to the lack of synthesis methods to…
We introduce a computational method to optimize target physical properties in the full configuration space regarding atomic composition, chemical stoichiometry, and crystal structure. The approach combines the universal potential of the…
Monolithic 3D (M3D) technology enables high density integration, performance, and energy-efficiency by sequentially stacking tiers on top of each other. M3D-based network-on-chip (NoC) architectures can exploit these benefits by adopting…
Two dimensional transition metal dichalcogenides (TMDC) have very interesting properties for optoelectronic devices. In this work we theoretically investigate and predict that superlattices comprised of MoS$_{2}$ and WSe$_{2}$ multilayers…
Zinc alloys are recognised for their excellent biocompatibility and favourable corrosion rates, making them suitable for bioabsorbable implants. However, their mechanical properties necessitate improvement to fulfil the rigorous…
We have investigated the electronic, optical, and mechanical properties of six structures belonging to the Tubulanes-cross-linked carbon nanotube family. Our results highlight the remarkable anisotropic mechanical behavior of these…
In this paper, we investigate, by molecular dynamics simulations, the mechanical properties of a new carbon nanostructure, termed graphene nanochain, constructed by sewing up pristine or twisted graphene nanoribbons (GNRs) and interlocking…
Two mechanisms of changes from 2D to 3D (D = dimensionality) involving 2D C(sp2) trigonal paving to C(sp3) tetrahedral stacking are proposed through puckering of the 2D layers on one hand and interlayer insertion of extra C on the other…
Diamond holds significant promise for a wide range of applications due to its exceptional physicochemical properties. Investigating the controlled diamond preparation from nanocarbon precursors with varying dimensions is crucial to optimize…
Ultra-nanocrystalline diamond is a polycrystalline material, having crystalline diamond grains of sizes in the nanometer regime. We study the structure and mechanical properties of this material as a function of the average grain size,…
Two possible phases of superhard material BC3 originating from the cubic diamond structure are investigated by ab initio pseudopotential density functional method using generalized gradient approximation (GGA). We calculate their elastic…
Enhancing superconductivity through material design is a central goal in quantum materials research. Moire engineering, where twisting stacked layers creates long-wavelength modulations and flat bands, has shown how electronic correlations…