Results 31 to 40 of about 153,078 (284)

From Electrons to Finite Elements: A Concurrent Multiscale Approach for Metals

, 2005
We present a multiscale modeling approach that concurrently couples quantum mechanical, classical atomistic and continuum mechanics simulations in a unified fashion for metals. This approach is particular useful for systems where chemical interactions in
E. B. Tadmor, Efthimios Kaxiras, G. Kresse, G. Lu, Gang Lu, J. Gao, N. Bernstein   +6 more
core   +1 more source

Multiscale Modeling of Thermoplastic Matrix Composites for Cryogenic Hydrogen Storage Applications

Modelling
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 ...
Brett A. Bednarcyk, Brandon L. Hearley, Evan J. Pineda   +2 more
doaj   +1 more source

Modeling the Catalyst Activation Step in a Metal–Ligand Radical Mechanism Based Water Oxidation System

Inorganics, 2019
Designing catalysts for water oxidation (WOCs) that operate at low overpotentials plays an important role in developing sustainable energy conversion schemes.
Nitish Govindarajan, Evert Jan Meijer
doaj   +1 more source

Multiscale Modeling and Simulation of Organic Solar Cells [PDF]

, 2012
In this article, we continue our mathematical study of organic solar cells (OSCs) and propose a two-scale (micro- and macro-scale) model of heterojunction OSCs with interface geometries characterized by an arbitrarily complex morphology.
Bagnis, Bank, Bank, Barker, Beverina, Blom, Braun, Buxton, Caironi, CampbellScott, Carlo de Falco, Casalegno, Coakley, Davis, de Falco, Gatti, Gill, Gunes, Horowitz, Hughes, Jerome, Kimber, Lazarov, Lee, Marsh, Martin, Matteo Porro, Maurizio Verri, Mayer, Mihailetchi, Mingebach, Mori, Morteani, Peumans, Pope, Quarteroni, Ray, Riccardo Sacco, Sharma, Tang, Williams, Xu   +41 more
core   +2 more sources

Multiscale modeling for biologists [PDF]

WIREs Systems Biology and Medicine, 2009
AbstractBiomedical research frequently involves performing experiments and developing hypotheses that link different scales of biological systems such as, for instance, the scales of intracellular molecular interactions to the scale of cellular behavior and beyond to the behavior of cell populations. Computational modeling efforts that aim at exploring
Martin, Meier-Schellersheim, Iain D C, Fraser, Frederick, Klauschen   +2 more
openaire   +2 more sources

Tourist Arrival Forecasting Using Multiscale Mode Learning Model

Mathematics, 2022
The forecasting of tourist arrival depends on the accurate modeling of prevalent data patterns found in tourist arrival, especially for daily tourist arrival, where tourist arrival changes are more complex and highly nonlinear.
Kaijian He, Don Wu, Yingchao Zou
doaj   +1 more source

Cell-to-Cell Variation in Defective Virus Expression and Effects on Host Responses during Influenza Virus Infection

mBio, 2020
Virus and host factors contribute to cell-to-cell variation in viral infections and determine the outcome of the overall infection. However, the extent of the variability at the single-cell level and how it impacts virus-host interactions at a system ...
Chang Wang, Christian V. Forst, Tsui-wen Chou, Adam Geber, Minghui Wang, Wissam Hamou, Melissa Smith, Robert Sebra, Bin Zhang, Bin Zhou, Elodie Ghedin   +10 more
doaj   +1 more source

The choice of a thermodynamic formulation dramatically affects modelled chemical zoning in minerals

Scientific Reports, 2021
Quantifying natural processes that shape our planet is a key to understanding the geological observations. Many phenomena in the Earth are not in thermodynamic equilibrium.
L. Tajčmanová, Y. Podladchikov, E. Moulas, L. Khakimova   +3 more
doaj   +1 more source

Multiscale modeling of granular flows with application to crowd dynamics [PDF]

, 2010
In this paper a new multiscale modeling technique is proposed. It relies on a recently introduced measure-theoretic approach, which allows to manage the microscopic and the macroscopic scale under a unique framework.
Cristiani, Emiliano, Piccoli, Benedetto, Tosin, Andrea   +2 more
core   +2 more sources

Yield strength and misfit volumes of NiCoCr and implications for short-range-order

Nature Communications, 2020
Chemical short-range order (SRO) NiCoCr has been proposed to account for its positive stacking fault energy and good mechanical properties. Here, a combination of theory and experiment shows that SRO is of negligible importance in NiCoCr processed by ...
Binglun Yin, Shuhei Yoshida, Nobuhiro Tsuji, W. A. Curtin   +3 more
doaj   +1 more source