SCI Publications
2001
J.C. Facelli, B.K. Nakagawa, A.M. Orendt, R.J. Pugmire.
“Cluster Analysis of C-13 Chemical Shift Tensor Principal Values in Polycyclic Aromatic Hydrocarbons,” In Journal of Physical Chemistry, A, Vol. 105, pp. 7468--7472. 2001.
This paper presents a hierarchical cluster analysis of the principal values of the 13C chemical shift tensors encountered in polycyclic aromatic hydrocarbons (PAHs). Because of the limited set of experimental data presently available, the analysis was performed using chemical shifts tensors calculated using the DFT (B3PW91) GIAO method with a D95 basis set on optimized molecular geometries obtained using the CVFF force field and the DISCOVER routine in MSI's InsightII package. The good correlation observed between the calculated and the available experimental values supports the use of calculated values in the analysis. The hierarchical cluster analysis was performed for two data sets of increasing size and the classification was found independent of the size of the sample, leading to the conclusion that the results presented here are valid for the types of PAHs reported. The classification of the tensors using hierarchical cluster analysis produces classes of chemical shift principal values that can be associated with intuitive chemical types of carbons present in PAHs.
J.C. Gardiner, J.A. Weiss, T.D. Rosenberg.
“Strain in the Human Medial Collateral Ligament During Valgus Loading,” In Clinical Orthopaedics and Related Research, Vol. 391, pp. 266--274. 2001.
J.C. Gardiner, J.A. Weiss.
“Simple Shear Testing of Parallel-Fibered Planar Soft Tissues,” In Journal of Biomechanical Engineering, Vol. 123, pp. 1--5. 2001.
C.E. Goodyer, R. Fairlie, M. Berzins, L.E. Scales.
“Adaptive Techniques for Elastohydrodynamic Lubrication Solvers,” In Tribology Research: From Model Experiment to Industrial Problem, Proceedings of the 27th Leeds-Lyon Symposium on Tribology, Edited by G. Dalmaz et al., Elsevier, 2001.
C.E. Goodyer, R. Fairlie, M. Berzins, L.E. Scales.
“Adaptive Mesh Methods for Elastohydrodynamic Lubrication,” In ECCOMAS CFD 2001: Computational Fluid Dynamics Conference Proceedings, Institute of Mathematics and its Applications, 2001.
ISBN: 0-905-091-12-4
C.E. Goodyer.
“Adaptive Numerical Methods for Elastohydrodynamic Lubrication,” Note: Advisor: Martin Berzins, School of Computing, University of Leeds, May, 2001.
Numerical solutions to elastohydrodynamic lubrication problems have been computed
for the last half century. Over the past decade multilevel techniques have been successfully
applied in several solvers and significant speed-ups achieved. The aim of numerical
research in this field is to develop techniques in order to calculate accurate solutions to
demanding industrial problems as efficiently as possible.
In this work the numerical solver, previously developed by Nurgat, is examined. Despite
being successful in achieving converged results on a single grid, there were some
unresolved issues relating to the multigrid performance. These problems are explained
and the necessary modifications to the method used are detailed.
There is much current interest in obtaining results to transient elastohydrodynamic
lubrication problems. These are examined in detail and the justification for the methods
used are discussed. Example results for industrially relevant cases, such as variation of
lubricant entrainment, oscillation of the applied load and the presence of surface defects
are considered.
In many other fields, adaptation in both space and time is used to increase performance
and accuracy. However, these techniques are not currently used for elastohydrodynamic
lubrication problems. It is shown that they can be successfully applied and substantial
benefits accrued.
A method of variable timestepping has been introduced and results are presented
showing that not only is it as accurate as fixed time stepping methods, but that the computational
work required to obtain these solutions is significantly reduced. Local error
control on each individual timestep is also implemented.
Adaptation of the spatial mesh is also developed. By developing a hierarchy of refined
meshes within the multigrid structure it is seen how significantly fewer computational
points are used in the most expensive numerical calculations. This, in turn, means that
the computational time required is reduced. Different criteria for adaptation are explained
and results presented showing the relative levels of accuracy and speed-up achieved.
A. Gothandaraman, R.T. Whitaker, J. Gregor.
“Total Variation For The Removal of Blocking Effects in DCT based Encoding,” In IEEE International Conference on Image Processing, pp. 455--458. October, 2001.
C. Guerra, V. Pascucci.
“Finding Line Segments with Tabu Search,” In IEICE Transactions on Information & Systems, Vol. E84-D, No. 12, pp. 1739-1744. December, 2001.
S. Gumhold, X. Wang, R.S. MacLeod.
“Feature Extraction from Point Clouds,” In Proceedings, 10th International Meshing Round Table, Sandia National Laboratories, pp. 293--305. 2001.
G. Higgins, B. Athey, J. Bassingthwaighte, J. Burgess, H. Champion, K. Cleary, P. Dev, J. Duncan, M. Hopmeier, D. Jenkins, C.R. Johnson, H. Kelly, R. Leitch, W. Lorensen, D. Metaxas, V. Spitzer, N. Vaidehi, K. Vosburgh, R. Winslow.
“Modeling and Simulation in Medicine: Towards an Integrated Framework,” In Computer Aided Surgery, Vol. 6, No. 1, Note: Final report of the meeting of the same title held July 20-21, 2000, National Library of Medicine, National Institutes of Health, Bethesda, Maryland, USA., 2001.
DOI: 10.1002/igs.1008
M. Ikits, J.D. Brederson, C.D. Hansen, J.M. Hollerbach.
“An Improved Calibration Framework for Electromagnetic Tracking Devices,” In Proceedings of IEEE Virtual Reality Conference 2001, Yokohama, Japan, pp. 63--70. Mar, 2001.
M. Ikits, J.D. Brederson, C.D. Hansen, J.M. Hollerbach.
“Calibration of 6DOF Electromagnetic Tracking Devices,” In IEEE VR2001, Japan, pp. 63--70. 2001.
C.R. Johnson, D. Brederson, C.D. Hansen, M. Ikits, G. Kindlmann, Y. Livnat, S.G. Parker, D.M. Weinstein, R.T. Whitaker.
“Computational Field Visualization,” In Computer Graphics, Vol. 35, No. 4, pp. 5--9. 2001.
C.R. Johnson, Y. Livnat, L. Zhukov, D. Hart, G. Kindlmann.
“Computational Field Visualization,” In Mathematics Unlimited -- 2001 and Beyond, Vol. 2, Edited by B. Engquist and W. Schmid, Springer-Verlag, pp. 605--630. 2001.
C.R. Johnson, M. Mohr, U. Ruede, A. Samsonov, K. Zyp.
“Multilevel Methods for Inverse Bioelelectric Field Problems,” In Lecture Notes in Computational Science and Engineering - Multiscale and Multiresolution Methods: Theory and Applications, Vol. 20, Edited by T.J. Barth and T.F. Chan and R. Haimes, Springer-Verlag Publishing, Heidelberg pp. 331--346. October, 2001.
C.R. Johnson.
“Adaptive Finite Element and Local Regularization Methods for the Inverse ECG Problem,” In Inverse Problems in Electrocardiology, Advances in Computational Biomedicine, Vol. 5, Edited by Peter Johnston, WIT Press, pp. 51--88. 2001.
C.R. Johnson.
“Computational Bioimaging for Medical Diagnosis and Treatment,” In Communications of the ACM, Vol. 44, No. 3, pp. 74--76. March, 2001.
S. Joshi, S. Pizer, P.T. Fletcher, A. Thall, G. Tracton.
“Multi-scale 3-D Deformable Model Segmentation Based on Medial Description,” In Information Processing in Medical Imaging (IPMI), Edited by MF Insana and RM Leahy, pp. 64--77. June, 2001.
R.M. Kirby, G.E. Karniadakis, O. Mikulchenko, K. Mayaram.
“Integrated Simulation for MEMS: Coupling Flow-Structure-Thermal-Electrical Domains,” In The MEMS Handbook, Edited by M. Gad-el-Hak, Informa UK Limited, 2001.
R.M. Kirby, G.E. Karniadakis.
“Under-Resolution and Diagnostics in Spectral Simulations of Complex-Geometry Flows,” In Turbulent Flow Computation, Edited by D. Drikakis and B. Geurts, Springer, pp. 1--42. 2001.