Biomedical subjects

Moneesh Upmanyu

Publications and source records attributed to Moneesh Upmanyu.

3 recordsLinked to original sources

PubMed2006

Interface mobility from interface random walk.

Computational studies aimed at extracting interface mobilities require driving forces orders of magnitude higher than those occurring experimentally. We present a computational methodology that extracts the absolute interface mobility in the zero driving force limit by monitoring the one-dimensional random walk of the mean interface position along the interface normal. The method exploits a fluctuation-dissipation relation similar to the Stokes-Einstein relation, which relates the diffusion coefficient of this Brownian-like random walk to the interface mobility. Atomic-scale simulations of grain boundaries in model crystalline systems validate the theoretical predictions and highlight the profound effect of impurities. The generality of this technique, combined with its inherent spatiotemporal efficiency, should allow computational studies to effectively complement experiments in understanding interface kinetics in diverse material systems.

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PubMed2006

Axial-strain-induced torsion in single-walled carbon nanotubes.

Using classical molecular dynamics and empirical potentials, we show that the axial deformation of single-walled carbon nanotubes is coupled to their torsion. The axial-strain-induced torsion is limited to chiral nanotubes-graphite sheets rolled around an axis that breaks its symmetry. Small strain behavior is consistent with chirality and curvature-induced elastic anisotropy (CCIEA)-carbon nanotube rotation is equal and opposite in tension and compression, and decreases with curvature and chirality. The large-strain compressive response is remarkably different. The coupling progressively decreases, in contrast to the tensile case, and changes its sign at a critical compressive strain. Thereafter, it untwists with increasing axial strain and then rotates in the opposite direction, i.e., the same sense as under tension. This suggests that the response is now dictated by a combination of nonlinear elasticity and CCIEA.

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PubMed2005

Elastic self-healing during shear accommodation in crystalline nanotube ropes.

Rigid-tube computations of simple (transverse) shear in crystalline nanotube ropes (CNTRs) reveal that shear modulus and strength increase and decrease with the tube radius, respectively. High modulus to strength ratios suggest that dislocations play a minor role during their plasticity. The computed shear moduli are in agreement with previous studies, although shape change and rolling-based shear may modify low strain and temperature behavior. The instability past the shear strength is due to shear localization via interlayer sliding, wherein stress relief results in significant elastic energy dissipation. Large-tube radius CNTRs accommodate large strains at minimal energetic cost during sliding, due to the increasingly cohesive and short range nature of the intertube potential. Fascinatingly, the crystal aids its recovery, implying that CNTRs may be promising materials for energy absorption and tribology.

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