Search Results - "WEBB, Edmund B"

Early stage spreading: Mechanisms of rapid contact line advance by Webb, Edmund B., Shi, Baiou

“…Inertial spreading occurs at the onset of a droplet wetting a solid; for low viscosity, highly wetting liquids, very high contact line velocities have been…”
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Coarse-Grain Modeling of Shear-Induced Binding between von Willebrand Factor and Collagen by Wei, Wei, Dong, Chuqiao, Morabito, Michael, Cheng, Xuanhong, Zhang, X. Frank, Webb, Edmund B., Oztekin, Alparslan

“…Von Willebrand factor (VWF) is a large multimeric protein that aids in blood clotting. Near injury sites, hydrodynamic force from increased blood flow…”
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Development of AMBER-compliant transferable force field parameters for polytetrafluoroethylene by Kaya, Orhan, Oztekin, Alparslan, Webb, Edmund B.

“…New transferable parameters for polytetrafluoroethylene (PTFE) compatible with the Assisted Model Building with Energy Refinement (AMBER) force field were…”
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Long-ranged Protein-glycan Interactions Stabilize von Willebrand Factor A2 Domain from Mechanical Unfolding by Dong, Chuqiao, Lee, Jumin, Kim, Seonghoon, Lai, Whitney, Webb, Edmund B., Oztekin, Alparslan, Zhang, X. Frank, Im, Wonpil

“…von Willebrand Factor (vWF) is a large multimeric protein that binds to platelets and collagen in blood clotting. vWF A2 domain hosts a proteolytic site for…”
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Prediction of Sub-Monomer A2 Domain Dynamics of the von Willebrand Factor by Machine Learning Algorithm and Coarse-Grained Molecular Dynamics Simulation by Morabito, Michael J., Usta, Mustafa, Cheng, Xuanhong, Zhang, Xiaohui F., Oztekin, Alparslan, Webb, Edmund B.

“…We develop a machine learning tool useful for predicting the instantaneous dynamical state of sub-monomer features within long linear polymer chains, as well…”
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A molecular dynamics study of lithium grain boundary intercalation in graphite by Shumeyko, Christopher M., Webb, Edmund B.

“…Lithium-ion diffusion rates in graphitic battery anodes have been shown to vary greatly in experiments, with numerous hypotheses to explain this behavior…”
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Thin film compressive stresses due to adatom insertion into grain boundaries by Pao, Chun-Wei, Foiles, Stephen M, Webb, 3rd, Edmund B, Srolovitz, David J, Floro, Jerrold A

“…Atomic simulations of the growth of polycrystalline Ni demonstrate that deposited atoms incorporate into the film at boundaries, resulting in compressive…”
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Dissolutive wetting of Ag on Cu: A molecular dynamics simulation study by Webb, Edmund B., Grest, Gary S., Heine, David R., Hoyt, J.J.

“…Reactive wetting in the eutectic AgCu system is studied with molecular dynamics simulations. As Ag(l) spreads on the Cu surface, Cu dissolves into the liquid…”
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Reconsideration of Continuum Thermomechanical Quantities in Atomic Scale Simulations by Webb, Edmund B., Zimmerman, Jonathan A., Seel, Steven C.

“…As motivation builds to consider mechanics of nanometer scale objects, it is increasingly advantageous to implement models with finer resolution than standard…”
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Precursor film controlled wetting of Pb on Cu by Webb, 3rd, Edmund B, Grest, Gary S, Heine, David R

“…Wetting in a system where the kinetics of drop spreading are controlled by the rate of formation of a precursor film is modeled for the first time at the…”
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Surface wetting of liquid nanodroplets : Droplet-size effects by HEINE, David R, GREST, Gary S, WEBB, Edmund B

“…The spreading of liquid nanodroplets of different initial radii R0 is studied using molecular dynamics simulation. Results for two distinct systems, Pb on…”
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Atomic-Layer-Deposited Aluminum Oxide Thin Films Probed with X‑ray Scattering and Compared to Molecular Dynamics and Density Functional Theory Models by Pugliese, Anthony, Shyam, Badri, Repa, Gil M., Nguyen, Anh Hung, Mehta, Apurva, Webb III, Edmund B., Fredin, Lisa A., Strandwitz, Nicholas C.

“…A better understanding of amorphous aluminum oxide’s structure and electronic properties is obtained through combined experimental and computational…”
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Spreading dynamics of polymer nanodroplets by Heine, David R, Grest, Gary S, Webb, 3rd, Edmund B

“…The spreading of polymer droplets is studied using molecular dynamics simulations. To study the dynamics of both the precursor foot and the bulk droplet, large…”
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Unraveling Kinetics of Collapsed Polymers in Extensional Flow by Nguyen, Anh H, Kania, Sagar, Cheng, Xuanhong, Oztekin, Alparslan, Zhang, X. Frank, Webb, Edmund B

“…Unraveling kinetics of collapsed polymers in relatively low strain rate extensional flow is explored via coarse-grained Brownian dynamics (BD) simulations…”
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Pilot study of micromotion nailing for mechanical stimulation of tibial fracture healing by Dailey, Hannah L., Schwarzenberg, Peter, Webb, III, Edmund B., Boran, Sinead A. M., Guerin, Shane, Harty, James A.

“…AIMSThe study objective was to prospectively assess clinical outcomes for a pilot cohort of tibial shaft fractures treated with a new tibial nailing system…”
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Liquid Nanodroplets Spreading on Chemically Patterned Surfaces by Grest, Gary S, Heine, David R, Webb, Edmund B

“…Controlling the spatial distribution of liquid droplets on surfaces via surface energy patterning can be used to deliver material to specified regions via…”
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A case study of thin film stress evolution at a dissimilar material interface via molecular dynamics simulations: Gold film growth on a nickel substrate by Al, Murat, Webb, Edmund B

“…Evolution of deformation and stress in growing thin films has been studied in this work using computational simulations that resolve matter at atomic length…”
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Tribological Properties of Alkylsilane Self-Assembled Monolayers by Lorenz, Christian D, Chandross, Michael, Grest, Gary S, Stevens, Mark J, Webb, Edmund B

“…In this study, we perform molecular dynamics simulations of adhesive contact and friction between alkylsilane Si(OH)3(CX2)10CX3 and alkoxylsilane…”
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Intracrystalline Diffusion of Linear and Branched Alkanes in the Zeolites TON, EUO, and MFI by Webb, Edmund B, Grest, Gary S, Mondello, Maurizio

“…Diffusion constants D and activation energies for diffusion E a were obtained for linear and branched alkanes inside the zeolites TON, EUO, and MFI via…”
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Flow-induced conformational change of von Willebrand Factor multimer: Results from a molecular mechanics informed model by Ouyang, Wenli, Wei, Wei, Cheng, Xuanhong, Zhang, Xiaohui F., Webb, Edmund B., Oztekin, Alparslan

“…•A coarse-grained model for the vWF multimer is proposed.•The model more accurately describes the mechanical properties of the protein.•Model parameters are…”
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