Search Results - "Farmer, B. L"

Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials by Heinz, Hendrik, Vaia, R. A, Farmer, B. L, Naik, R. R

“…Molecular dynamics and Monte Carlo simulations often rely on Lennard-Jones (LJ) potentials for nonbond interactions. We present 12−6 and 9−6 LJ parameters for…”
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Force Field for Mica-Type Silicates and Dynamics of Octadecylammonium Chains Grafted to Montmorillonite by Heinz, Hendrik, Koerner, Hilmar, Anderson, Kelly L, Vaia, Richard A, Farmer, B. L

“…Layered silicates are widely used in nanotechnology and composite materials. We describe a force field for phyllosilicates (mica, montmorillonite, and…”
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Relation between Packing Density and Thermal Transitions of Alkyl Chains on Layered Silicate and Metal Surfaces by Heinz, Hendrik, Vaia, R. A, Farmer, B. L

“…Self-assembled layers of alkyl chains grafted onto the surfaces of layered silicates, metal, and oxidic nanoparticles are utilized to control interactions with…”
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Photoisomerization of Azobenzene Grafted to Layered Silicates: Simulation and Experimental Challenges by Heinz, Hendrik, Vaia, R. A, Koerner, H, Farmer, B. L

“…Molecular dynamics (MD) simulation has been employed to examine the molecular-level orientation and reorganization of model azobenzene derivatives in the…”
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Thermally Induced α-Helix to β-Sheet Transition in Regenerated Silk Fibers and Films by Drummy, Lawrence F, Phillips, David M, Stone, Morley O, Farmer, B. L, Naik, Rajesh R

“…The structure of thin films cast from regenerated solutions of Bombyx mori cocoon silk in hexafluoroisopropyl alcohol (HFIP) was studied by synchrotron X-ray…”
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Self-assembly dynamics for the transition of a globular aggregate to a fibril network of lysozyme proteins via a coarse-grained Monte Carlo simulation by Pandey, R. B., Farmer, B. L., Gerstman, Bernard S.

“…The self-organizing dynamics of lysozymes (an amyloid protein with 148 residues) with different numbers of protein chains, Nc = 1,5,10, and 15 (concentration…”
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Morphology of Layered Silicate− (NanoClay−) Polymer Nanocomposites by Electron Tomography and Small-Angle X-ray Scattering by Drummy, Lawrence F, Wang, Y. C, Schoenmakers, Remco, May, Keith, Jackson, Mike, Koerner, Hilmar, Farmer, B. L, Mauryama, Benji, Vaia, Richard A

“…A basis for quantitative analysis of layered silicate− (nanoclay−) polymer nanocomposite morphology using two characterization methods, electron tomography and…”
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Bioassembled Layered Silicate-Metal Nanoparticle Hybrids by Drummy, Lawrence F, Jones, Sharon E, Pandey, Ras B, Farmer, B. L, Vaia, Richard A, Naik, Rajesh R

“…Here we report on the bioenabled assembly of layered nanohybrids using peptides identified with regard to their affinity to the nanoparticle surface. A…”
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Scaffolding of an antimicrobial peptide (KSL) by a scale-down coarse-grained approach by Hissam, R S, Farmer, B L, Pandey, R B

“…A coarse-grained approach with enhanced representation of amino acid (involving four components, i.e. a central alpha carbon and its side group along with C…”
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High-Resolution Electron Microscopy of Montmorillonite and Montmorillonite/Epoxy Nanocomposites by Drummy, Lawrence F, Koerner, Hilmar, Farmer, Karen, Tan, Ashley, Farmer, B. L, Vaia, Richard A

“…With the use of high-resolution transmission electron microscopy the structure and morphology of montmorillonite (MMT), a material of current interest for use…”
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Influence of polymer matrix composition and architecture on polymer nanocomposite formation: Coarse-grained molecular dynamics simulation by Sinsawat, Anuchai, Anderson, Kelly L., Vaia, Richard A., Farmer, B. L.

“…Coarse‐grained molecular dynamics simulations of stacks of two‐dimensional platelets immersed in a polymer melt were performed to investigate aspects of the…”
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Acoustic intensity, impedance and reflection coefficient in the human ear canal by Farmer-Fedor, B L, Rabbitt, R D

“…The sound power per unit cross-sectional area was determined in human ear canals using a new method based on measuring the pressure distribution (P) along the…”
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Exfoliation of a stack of platelets and intercalation of polymer chains: Effects of molecular weight, entanglement, and interaction with the polymer matrix by Pandey, R.B, Farmer, B.L

“…Exfoliation of a stack of sheets (a model for clay platelets) in a dynamic matrix of polymer chains is investigated by a computer simulation model. How the…”
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Self-Assembly of Alkylammonium Chains on Montmorillonite:  Effect of Chain Length, Head Group Structure, and Cation Exchange Capacity by Heinz, Hendrik, Vaia, R. A, Krishnamoorti, R, Farmer, B. L

“…The structure and dynamics of alkylammonium-modified montmorillonites with different cation exchange capacity (CEC), ammonium head groups, and chain length is…”
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Study of the Ordered Structures of Poly(styrene-b-vinyl4pyridine) in a Solution State by Using Small-Angle X-ray Scattering and Generalized Indirect Fourier Transform by Park, Soo-Young, Chang, Yun-Jeong, Farmer, B. L

“…The structures of the mesophases and their subunits (micelles) of poly(styrene-b-vinyl4pyridine) (PS-b-P4VP) in a toluene solution were studied by using…”
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Thermal interface tailoring in composite materials by Roy, A.K., Farmer, B.L., Sihn, S., Varshney, V., Patnaik, S., Ganguli, S.

“…The thermal transport in heterogeneous materials systems, such as in composites, is essentially controlled by the phonon scattering phenomena at the materials…”
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Molecular dynamics simulation study of norbornene–POSS polymers by Bharadwaj, R.K., Berry, R.J., Farmer, B.L.

“…Atomistic molecular dynamics simulations have been used to delineate the effects of introducing polyhedral oligomeric silsesquioxane (POSS) moieties…”
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Preferential binding effects on protein structure and dynamics revealed by coarse-grained Monte Carlo simulation by Pandey, R B, Jacobs, D J, Farmer, B L

“…The effect of preferential binding of solute molecules within an aqueous solution on the structure and dynamics of the histone H3.1 protein is examined by a…”
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Electrospun Bombyx mori gland silk by Putthanarat, S., Eby, R.K., Kataphinan, W., Jones, S., Naik, R., Reneker, D.H., Farmer, B.L.

“…Solutions of Bombyx mori gland silk can be electrospun with the addition of some polyethylene oxide (PEO). Green fluorescent protein (GFP) can also be…”
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Asymmetry in structural response of inner and outer transmembrane segments of CorA protein by a coarse-grain model by Kitjaruwankul, Sunan, Khrutto, Channarong, Sompornpisut, Pornthep, Farmer, B L, Pandey, R B

“…Structure of CorA protein and its inner (i.corA) and outer (o.corA) transmembrane (TM) components are investigated as a function of temperature by a…”
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