The mechanical and physical properties of polymeric materials originate from the interplay of phenomena at different spatial and temporal scales. As such, it is necessary to adopt multiscale techniques when modeling polymeric materials in order to ac...
A multiscale approach to discrete element modeling is presented. A distinctive feature of the method is that each macroscopic discrete element has an associated atomic sample representing the material’s atomic structure. The dynamics of the elements...
The performance of thermoplastic matrix composites for linerless Type V cryotanks is evaluated via a partially coupled, multiscale computational workflow with the objective of assessing the choice of thermoplastic matrix material under realistic cond...
This study aims to characterize graphene epoxy nanocomposite properties using multiscale modeling. Molecular dynamics was used to study the nanocomposite at the nanoscale and finite element analysis at the macroscale to complete the multiscale modeli...
The complex multiscale and anisotropic nature of silicon carbide (SiC) ceramic matrix composite (CMC) makes it difficult to accurately model its performance in nuclear applications. The existing models for nuclear grade composite SiC do not account f...
High-quality milling of carbon fiber reinforced polymer (CFRP) composites is of great importance for the high-performance manufacturing of structures made of this hard-to-machine material. In this paper, a multiscale finite element (FE) model, consid...
Global food insecurity and environmental degradation highlight the urgent need for more sustainable agricultural solutions. Plant synthetic biology emerges as a promising yet risky avenue to develop such solutions. While synthetic biology offers the...
Electromagnetic modeling of multiscale wave interactions is a challenging task. This is because wave physics exhibit different characteristics at different length scales that require suitable modeling algorithms. Combining these algorithms to model m...
A multiscale model is developed for vertically aligned carbon nanotube (CNT)-based membranes that are made for water purification or gas separation. As a consequence of driving fluids through the membranes, they carry stress waves along the fiber dir...
G protein-coupled receptors (GPCRs) are major drug targets due to their ability to facilitate signal transduction across cell membranes, a process that is vital for many physiological functions to occur. The development of computational technology pr...
Solid Oxide Cells (SOCs) can work efficiently in reversible operation, allowing the energy storage as hydrogen in power to gas application and providing requested electricity in gas to power application. They can easily switch from fuel cell to elect...
Multiscale systems biology and systems pharmacology are powerful methodologies that are playing increasingly important roles in understanding the fundamental mechanisms of biological phenomena and in clinical applications. In this review, we summariz...
Falling damage is the most common form of damage sustained by kiwifruit during the process of picking and post-processing, and it is difficult to conduct a quantitative analysis of this phenomenon through traditional experimental methods. In order to...
Coastal ocean flows are interconnected by a complex suite of processes. Examples are inlet jets, river mouth effluents, ocean currents, surface gravity waves, internal waves, wave overtopping, and wave slamming on coastal structures. It has become ne...
Memristor-based neuromorphic systems have been proposed as a promising alternative to von Neumann computing architectures, which are currently challenged by the ever-increasing computational power required by modern artificial intelligence (AI) algor...
We present a computational framework that allows investigating the Thermo-Hydro- Mechanical response of a representative part of a sedimentary basin during a glaciation cycle. We tackle the complexity of the problem, arising by the mutual interaction...
Aluminum foam materials have gained significant attention over the past decade, particularly in the automotive industry, due to their excellent stiffness-to-weight ratio and superior energy absorption capabilities. In this study, a multiscale numeric...
Soft condensed matter is challenging to study due to the vast time and length scales that are necessary to accurately represent complex systems and capture their underlying physics. Multiscale simulations are necessary to study processes that have di...
The present study proposes a fractal-inspired multiscale framework to interpret the structural, thermal, mechanical and dielectric properties of polylactic acid (PLA). Experimental investigations were performed using tensile testing, TG-DTA thermal a...
Computational prediction of molecular structures of amyloid fibrils remains an exceedingly challenging task. In this work, we propose a multi-scale modeling procedure for the structure prediction of amyloid fibrils formed by the association of ACC1-1...
In this article, we focus on the development of a multiscale modeling and recurrent neural network (RNN) based optimization framework of a plasma etch process on a three-dimensional substrate with uniform thickness using the inductive coupled plasma...
This paper presents a new numerical method for multiscale modeling of composite materials. The new numerical model, called DECM, consists of a DEM (Discrete Element Method) approach of the Cell Method (CM) and combines the main features of both the D...
The multiscale mechanical behavior of individual fibrin fibers and fibrin clots was modeled by coupling atomistic simulation data and microscopic experimental data. We propose a new protofibril element composed of a nonlinear spring network, and cons...
A multiscale model is developed to investigate the mechanical behavior and failure of in situ particle reinforced titanium matrix composites (PTMCs). Through the microstructural observation of the heterogeneous microscopic and mesoscopic structures i...
Urban agglomeration has become the predominant form of urbanization in China. In this process, spatial interaction evidently played a significant role in promoting the collaborative development of these correlated cities. The traditional urban model&...
Online prediction of key parameters (e.g., process indices) is essential in many industrial processes because online measurement is not available. Data-based modeling is widely used for parameter prediction. However, model mismatch usually occurs owi...
The layered fibers of carbon-fiber-reinforced polymer (CFRP) composites exhibit low thermal conductivity (TC) throughout their thickness due to the poor TC of the polymeric resin. Improved heat transmission inside the hydrogen storage tank during the...
CD8 T-cells are critical in controlling infection by intracellular pathogens. Upon encountering antigen presenting cells, T-cell receptor activation promotes the differentiation of naïve CD8 T-cells into strongly proliferating activated and effect...
Proton exchange membrane water electrolysis is a promising technology for large-scale green hydrogen production due to its high efficiency, compact design, and rapid dynamic response. However, its commercialization is strictly limited by high materia...
Additive manufacturing is an emerging technology and provides high design flexibility to customers. Fused deposition modeling (FDM) is an economical and promising additive manufacturing method. Due to its many advantages, FDM received great attention...
As the world is changing, mainly due to climate change, extreme events such as floods and droughts are becoming more frequent and severe. Considering this, the predictive modeling of flow in small mountain catchments that are particularly vulnerable...
Skeletal muscle mechanics arise from hierarchical fiber–matrix interactions spanning multiple length scales. This study presents a computationally efficient, composite-inspired multiscale finite element framework that links muscle microstructur...
Extreme hydrological events fundamentally alter sediment transport dynamics across grain, reach, and watershed scales, rendering classical equilibrium-based transport formulations inadequate. This review synthesizes recent advances in multiscale sedi...
Chemical mechanical polishing (CMP) remains the cornerstone planarization technology in advanced semiconductor manufacturing. As device architectures transition toward FinFETs, gate-all-around structures, heterogeneous integration, and wide-bandgap s...
Crystal plasticity finite element (CPFEM) modeling of metals that can be age hardened consisting of second phase particles is extensively performed based on representative volume element (RVE) models. The RVE model is generated for ferritic low-carbo...
CFRP hybrid bonded–bolted (HBB) joints combine the advantages of traditional joining methods, namely adhesive bonding, and bolting, to achieve optimal connection performance, making them the most favored connection method. The structural parame...
In this study, molecular dynamics (MD) simulations of hydrated anion-exchange membranes (AEMs), comprised of poly(p-phenylene oxide) (PPO) polymers functionalized with quaternary ammonium cationic groups, were conducted using multiscale coupling betw...
Olefins are among the most important structural building blocks for a plethora of chemical reaction products, including petrochemicals, biomaterials and pharmaceuticals. An ever-increasing economic demand has urged scientists, engineers and industry...
A multiscale 3D CFD model of CO2 methanation over Ni/Al2O3 was developed in COMSOL Multiphysics 6.3 for a lab-scale isothermal fixed-bed Sabatier reactor and validated against published data. The multiscale approach integrated bulk convection–d...
The numerical solution for the lubrication of parallel rough surfaces cannot be obtained using the well-known flow factors of Patir and Cheng. Nor can it be determined using homogenization techniques. Is there an alternative, besides a purely long-te...
Burrs generated during the drilling of carbon fiber-reinforced plastics (CFRPs) would seriously reduce the service life of the components, potentially leading to assembly errors and part rejection. To solve this issue, this paper proposed a finite el...
Lubrication modeling has long been dominated by the well-established Patir and Cheng flow factors method. The flow factors approach allows for accurate estimates of macroscale parameters (such as friction) in a reasonable amount of time. These method...
Alzheimer’s disease is driven by multiple molecular drivers, including the pathological behavior of two intrinsically disordered proteins, amyloid-β (Aβ) and tau, whose aggregation is regulated by sequence-encoded ensembles and liquid...
The ability to develop mathematical models of infectious disease systems that integrate the dynamics of infectious disease processes at multiple scales is essential in furthering our understanding of infectious disease control, elimination, and even...
Dendrimers have been widely used as nanostructured carriers for guest species in a variety of applications in medicine, catalysis, and environmental remediation. Theory and simulation methods are an important complement to experimental approaches tha...
This study presents an integrated geomechanical modeling framework for predicting multi-scale fracture networks and their activity in the Longmaxi Formation shale reservoir, northern Luzhou region, southeastern Sichuan Basin—an area shaped by c...
Ruggedized computers are the core of modern communication, guidance, control, and data-processing systems, and typically operate under extreme environmental conditions. However, under extreme service conditions such as temperature cycling, vibration,...
Aqueous humor (AH) is a watery fluid continuously circulating through the posterior and anterior chambers of the human eye and is essential to maintain a healthy intraocular pressure in the eyeball and keep the eye clean from waste products of metabo...
This study investigates the prediction of the thermal conductivity of lightweight earth and raw earth blocks incorporating plant aggregates. Given the high variability of raw materials, it is not currently possible to predict the thermal performance...
Genome-scale metabolic models (GEMs) are effective tools for metabolic engineering and have been widely used to guide cell metabolic regulation. However, the single gene–protein-reaction data type in GEMs limits the understanding of biological...
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