@article{mccormick_carol_khan_2005, title={The  dynamics of single chains within a model polymer melt}, volume={122}, number={11}, journal={Journal of Chemical Physics}, author={McCormick, J. A. and Carol, K. H. and Khan, S. A.}, year={2005}, month={Mar} }
 @article{mccormick_hall_khan_2002, title={Entanglement relaxation and release in hard chain fluids during molecular dynamics simulations}, volume={35}, ISSN={["1520-5835"]}, DOI={10.1021/ma011134f}, abstractNote={Discontinuous molecular dynamics simulations are performed on systems containing 32 hard chains of length 192 at three volume fractions, φ = 0.40, 0.45, and 0.50, to investigate entanglement relaxation and release in model polymer melts. The relaxation behavior of the systems is compared to that predicted by the tube model and to that suggested for the release of interchain entanglements, or knots. The mean squared displacement of the chain center of mass, the mean squared displacements of inner, outer, and intermediate segments along the chain, the end-to-end vector autocorrelation function, and the apparent self-diffusion coefficient are calculated over the course of the simulations. The three relaxation times (τe, τR, and τd) predicted by the tube model are estimated in order to determine the extent to which the results exhibit tube confinement. The initial relaxation of chain segments occurs from the ends toward the middle as the tube model predicts. However, different methods for predicting the longe...}, number={15}, journal={MACROMOLECULES}, author={McCormick, JA and Hall, CK and Khan, SA}, year={2002}, month={Jul}, pages={6005–6019} }
 @article{mccormick_hall_khan_2002, title={The effect of position along the chain on the dynamic properties of hard chain segments}, volume={117}, ISSN={["1089-7690"]}, DOI={10.1063/1.1483295}, abstractNote={Discontinuous molecular dynamics simulations are performed on systems containing 32 hard chains of length 192 at three volume fractions, φ=0.40, 0.45, and 0.50, to investigate the effect of position on the segmental mean squared displacement. The mean squared displacements of various sized blocks of segments at different positions along the chain are calculated. First, the effect of block size on the dynamics of end and middle blocks is considered. It is found that small blocks provide a greater difference between the mean squared displacements of middle blocks, end blocks, and the whole chain than larger equal-sized blocks. Next, the portions of the chain exhibiting end and middle behavior are determined. It is found that a large portion of the chain displays middle behavior, while a small portion displays end behavior. Finally, the dynamics of segment relaxation along the chain are studied. The relaxation of small blocks of segments at different positions along the chain starts at the chain ends and progresses toward the chain middle with time, as the tube model predicts. The minor chain length, the portion of the chain that has relaxed, follows a power law with time, but the power is somewhat less than predicted.}, number={2}, journal={JOURNAL OF CHEMICAL PHYSICS}, author={McCormick, JA and Hall, CK and Khan, SA}, year={2002}, month={Jul}, pages={944–957} }