相关论文: Schwarzite and schwarzynes based load-bear resista…
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…
Strain is powerful for discovery and manipulation of new phases of matter; however, the elastic strains accessible to epitaxial films and bulk crystals are typically limited to small ($<2\%$), uniform, and often discrete values. This…
Adsorption and separation properties of gyroidal nanoporous carbons (GNCs) - a new class of exotic nanocarbon materials are studied for the first time using hyper parallel tempering Monte Carlo Simulation technique. Porous structure of GNC…
We explore in detail the structural, mechanical and thermodynamic properties of a coarse-grained model of DNA similar to that introduced in Thomas E. Ouldridge, Ard A. Louis, Jonathan P.K. Doye, Phys. Rev. Lett. 104 178101 (2010). Effective…
In this work, we introduce a novel computational framework that we developed to use numerical simulations to investigate the complexity of brain tissue at a microscopic level with a detail never realised before. Directly inspired by the…
Moir\'e superlattices in graphene supported on various substrates have opened a new avenue to engineer graphene's electronic properties. Yet, the exact crystallographic structure on which their band structure depends remains highly debated.…
There is accumulating evidence for the presence of complex molecules, including carbon-bearing and organic molecules, in the interstellar medium. Much of this evidence comes to us from studies of chemical composition, photo- and…
We propose a coarse-grained theoretical model to capture the aging of microfluidic devices under different conditions including constant applied flow rate and constant applied pressure gradient. Microfluidic devices that sort cells by their…
Animal cells in tissues are supported by biopolymer matrices, which typically exhibit highly nonlinear mechanical properties. While the linear elasticity of the matrix can significantly impact cell mechanics and functionality, it remains…
We investigate the formation and early evolution and fragmentation of an accretion disk around a forming massive protostar. We use a grid-based self-gravity-radiation-hydrodynamics code including a sub-grid module for stellar and dust…
We present an algorithm for generating all derivative superstructures--for arbitrary parent structures and for any number of atom types. This algorithm enumerates superlattices and atomic configurations in a geometry-independent way. The…
Achieving structural superlubricity in graphitic samples of macro-scale size is particularly challenging due to difficulties in sliding large contact areas of commensurate stacking domains. Here, we show the presence of macro-scale…
We propose a new mechanism to create self-assembled porous media with highly tunable geometrical properties and permeabilities: We first allow a particle-stabilized emulsion to form from a mixture of two fluids and colloidal particles.…
A central question in the field of graphene-related research is how graphene behaves when it is patterned at the nanometer scale with different edge geometries. Perhaps the most fundamental shape relevant to this question is the graphene…
Self-organized pattern formation is vital for many biological processes. Reaction-diffusion models have advanced our understanding of how biological systems develop spatial structures, starting from homogeneity. However, biological…
This article aims to propose a novel analytical model for anisotropic multi-layer elliptical structures incorporating graphene layers. The multi-layer structure is formed of various magnetic materials. An external magnetic bias has been…
We study the predictability of emergent phenomena in complex systems. Using nearest neighbor, one-dimensional Cellular Automata (CA) as an example, we show how to construct local coarse-grained descriptions of CA in all classes of Wolfram's…
Turing patterns are stationary, wave-like structures that emerge from the nonequilibrium assembly of reactive and diffusive components. While they are foundational in biophysics, their classical formulation relies on a single characteristic…
Due to privacy concerns, obtaining large datasets is challenging in medical image analysis, especially with 3D modalities like Computed Tomography (CT) and Magnetic Resonance Imaging (MRI). Existing generative models, developed to address…
We present here a fully first-principles method for predicting the atomic structure of interfaces. Our method is based on the {\it ab initio} random structure searching (AIRSS) approach, applied here to treat two dimensional defects. The…