Results 71 to 80 of about 129,978 (318)
Integrative Modeling of Macromolecular Assemblies from Low to Near-Atomic Resolution
Computational and Structural Biotechnology Journal, 2015 While conventional high-resolution techniques in structural biology are challenged by the size and flexibility of many biological assemblies, recent advances in low-resolution techniques such as cryo-electron microscopy (cryo-EM) and small angle X-ray ...
Xiaojun Xu +3 more
doaj +1 more source
Modeling Thermal Radiation in Combustion Environments: Progress and Challenges
Energies, 2023 Modeling thermal radiation in combustion environments can be extremely challenging for two main reasons. First, the radiative transfer equation (RTE), which is the cornerstone of modeling radiation in such environments, is a five-dimensional integro ...
Sandip Mazumder, Somesh P. Roy
doaj +1 more source
Advanced Functional Materials, EarlyView.Free‐standing plasmonic gold‐based fractal antennas are fabricated by 3D nanoprinting, employing focused electron beam induced deposition and an optimized purification method to remove carbon while conserving structural fidelity. Simulation and experiment show broadband plasmonic activity, including customizable polarizability, thereby paving the way ...
Verena Reisecker +6 more
wiley +1 more source
Single-particle Excitation Spectra of C$_{60}$ Molecules and Monolayers
, 2006 In this paper we present calculations of single-particle excitation spectra of neutral and three-electron-doped Hubbard C$_{60}$ molecules and monolayers from large-scale quantum Monte Carlo simulations and cluster perturbation theory. By a comparison to
A. John Berlinsky +6 more
core +1 more source
Integrative Approaches for DNA Sequence‐Controlled Functional Materials
Advanced Functional Materials, EarlyView.DNA is emerging as a programmable building block for functional materials with applications in biomimicry, biochemical, and mechanical information processing. The integration of simulations, experiments, and machine learning is explored as a means to bridge DNA sequences with macroscopic material properties, highlighting current advances and providing ...
Aaron Gadzekpo +4 more
wiley +1 more source
Continuum and Molecular Modeling of Chemical Vapor Deposition at Nano-Scale Fibrous Substrates
Mathematical and Computational Applications, 2023 Chemical vapor deposition (CVD) is a common industrial process that incorporates a complex combination of fluid flow, chemical reactions, and surface deposition.
Himel Barua, Alex Povitsky
doaj +1 more source
Diffusion of a hydrocarbon mixture in a one-dimensional zeolite channel: an exclusion model approach
, 2009 Zeolite channels can be used as effective hydrocarbon traps. Earlier experiments (Czaplewski {\sl et al.}, 2002) show that the presence of large aromatic molecules (toluene) block the diffusion of light hydrocarbon molecules (propane) inside the narrow ...
Chatterjee, Sakuntala +1 more
core +1 more source
Advanced Functional Materials, EarlyView.This review highlights how machine learning (ML) algorithms are employed to enhance sensor performance, focusing on gas and physical sensors such as haptic and strain devices. By addressing current bottlenecks and enabling simultaneous improvement of multiple metrics, these approaches pave the way toward next‐generation, real‐world sensor applications.
Kichul Lee +17 more
wiley +1 more source
npj Computational Materials, 2023 Refractory multi-principal element alloys (RMPEAs) are promising materials for high-temperature structural applications. Here, we investigate the role of short-range ordering (SRO) on dislocation glide in the MoNbTi and TaNbTi RMPEAs using a multi-scale ...
Hui Zheng +8 more
doaj +1 more source
Design of a film surface roughness-minimizing molecular beam epitaxy [PDF]
, 2004 Molecular beam epitaxy of germanium was used along with kinetic Monte Carlo simulations to study time-varying processing parameters and their effect on surface morphology.
Atwater, Harry A., Gallivan, Martha A.
core