Related papers: Mesoscopic model for mechanical characterization o…
Materials exhibit geometric structures across mesoscopic to microscopic scales, influencing macroscale properties such as appearance, mechanical strength, and thermal behavior. Capturing and modeling these multiscale structures is…
A three-dimensional mesoscopic viscoplasticity model for simulating rate-dependent plasticity and creep in unidirectional thermoplastic composites is presented. The constitutive model is a transversely isotropic extension of an isotropic…
Mechanical properties of cellular structures, including the cell cytoskeleton, are increasingly used as biomarkers for disease diagnosis and fundamental studies in cell biology. Recent experiments suggest that the cell cytoskeleton and its…
Protein representation and potential function are essential ingredients for studying proteins folding and protein prediction. We introduce a novel geometric representation of contact interactions using the edge simplices from alpha shape of…
We investigate the upscaling of diffusive transport parameters as function of pore scale material structure using a stochastic framework. We focus on sub-REV (representative elementary volume) scale where the complexity of pore space…
Tethered particle motion experiments are versatile single-molecule techniques enabling one to address in vitro the molecular properties of DNA and its interactions with various partners involved in genetic regulations. These techniques…
Knowledge of the mechanical properties of the aorta is essential as important concerns regarding the treatment of aortic pathologies, such as atherosclerosis, aneurysms and dissections, are fundamentally mechanobiological. A comprehensive…
Novel numerical techniques, validated by an analysis of barnase and chymotrypsin inhibitor, are used to elucidate the paramount role played by the geometry of the protein backbone in steering the folding to the correct native state. It is…
We show that a mesoscale model, with a minimal number of parameters, can well describe the thermomechanical and mechanochemical behavior of homogeneous DNA at thermal equilibrium under tension and torque. We predict critical temperatures…
Using analytical calculations and computer simulations we consider both the lateral diffusion of a membrane protein and the fluctuation spectrum of the membrane in which the protein is embedded. The membrane protein interacts with the…
Analyzing the structure of proteins is a key part of understanding their functions and thus their role in biology at the molecular level. In addition, design new proteins in a methodical way is a major engineering challenge. In this work,…
We present a mesoscopic approach to granular crystal dynamics, which comprises a three-dimensional finite-element model and a one-dimensional regularized contact model. The approach investigates the role of vibrational-energy trapping…
We describe a novel coarse-grained simulation method for modelling the dynamics of globular macromolecules, such as proteins. The macromolecule is treated as a continuum that is subject to thermal fluctuations. The model includes a…
Persistent homology is an effective method for extracting topological information, represented as persistent diagrams, of spatial structure data. Hence it is well-suited for the study of protein structures. Attempts to incorporate…
This work presents a study on the computational homogenization of electro-magneto-mechanically coupled problems through the Virtual Element Method (VEM). VE-approaches have great potential for the homogenization of the physical properties…
The choice of structural resolution is a fundamental aspect of protein modelling, determining the balance between descriptive power and interpretability. Although atomistic simulations provide maximal detail, much of this information is…
While cracking is a complex dynamics that involves material intrinsic properties like grain shape and size distribution, elastic properties of grain and cementing materials, and extrinsic properties of loading, in this work, the focus has…
We compare the macroscopic and the local plastic behavior of a model amorphous solid based on two radically different numerical descriptions. On the one hand, we simulate glass samples by atomistic simulations. On the other, we implement a…
Biological membranes and vesicles play a central role in living systems, forming dynamic interfaces that regulate cellular organization and function. Classical descriptions of membrane mechanics that are rooted in equilibrium statistical…
Proteins are the most important biomolecules for living organisms. The understanding of protein structure, function, dynamics and transport is one of most challenging tasks in biological science. In the present work, persistent homology is,…