Publications

Showing results for "schall" 1-9 of 9

The publications on this page are generated nightly from the NCSU Library's Scholarly Publications Repository. This repository is by no means a fully comprehensive listing of publications. Publications can be added to the repository manually by visiting the Publications Repository Submission Form.

Title Journal Year
Ad hoc continuum-atomistic thermostat for modeling heat flow in molecular dynamics simulations Molecular Simulation, 31(4), 283-288. Schall, J. D., Padgett, C. W., & Brenner, D. W. 2005
Self-consistent tight binding model adapted for hydrocarbon systems Molecular Simulation, 31(8), 585-595. Areshkin, D. A., Shenderova, O. A., Schall, J. D., & Brenner, D. W. 2005
Atomistic simulation of the influence of pre-existing stress on the interpretation of nanoindentation data Journal of Materials Research, 19(11), 3172-3180. Schall, J. D., & Brenner, D. W. 2004
A self-consistent tight binding model for hydrocarbon systems: application to quantum transport simulation Journal of Physics. Condensed Matter, 16(39), 6851-6866. Areshkin, D. A., Shenderova, O. A., Schall, J. D., Adiga, S. P., & Brenner, D. W. 2004
Convergence acceleration scheme for self-consistent orthogonal- basis-set electronic structure methods Molecular Simulation, 29(4), 269-286. Areshkin, D. A., Shenderova, O. A., Schall, J. D., & Brenner, D. W. 2003
Atomic modeling of carbon-based nanostructures as a tool for developing new materials and technologies Computer Modeling in Engineering & Sciences : CMES, 3(5), 643-673. Brenner, D. W., Shenderova, O. A., Areshkin, D. A., Schall, J. D., & Frankland, S. J. V. 2002
Molecular dynamics simulations of carbon nanotube rolling and sliding on graphite Molecular Simulation, 25(1-2), 73-79. Schall, J. D., & Brenner, D. W. 2000
Predictions of enhanced chemical reactivity at regions of local conformational strain on carbon nanotubes: Kinky chemistry Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 103(21), 4330-4337. Srivastava, D., Brenner, D. W., Schall, J. D., Ausman, K. D., Yu, M. F., & Ruoff, R. S. 1999
Virtual design and analysis of nanometer-scale sensor and device components Journal of the British Interplanetary Society, 51(1998), 137-144. Brenner, D. W., Schall, J. D., Mewkill, J. P, Shenderova, O. A., & Sinnott, S. B. 1998

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