Mathematical and Computational Sciences Division

Summary of Activities for Fiscal Year 2007

Visualization and analysis of the microstructure a computational model of cement hydration showing four distinct phases. This is the result of research performed by William George, Steve Satterfield, and Edith Enjolras of MCSD in collaboration with Jeffrey Bullard of the NIST Building and Fire Research Laboratory.

Mathematical and Computational Sciences Division
Information Technology Laboratory
National Institute of Standards and Technology
U. S. Department of Commerce

January 2008


This report summarizes the technical work of the Mathematical and Computational Sciences Division (MCSD) of NIST’s Information Technology Laboratory. Part I (Overview) provides a high-level overview of the Division’s activities, including highlights of technical accomplishments during the previous year. Part II (Features) provides further details on eight particular projects of particular note this year. This is followed in Part III (Project Summaries) by brief summaries of all technical projects active during the past year. Part IV (Activity Data) provides listings of publications, technical talks, and other professional activities in which Division staff members have participated. The reporting period covered by this document is October 2006 through December 2007.

Download complete report (4.8 Mbytes), or individual sections below.

Table of Contents

Part I : Overview9
Introduction  11
Highlights  14
     Technical Accomplishments  14
     Technology Transfer and Professional Acctivities  16
     Staff News  17
     Recognition  18
     Passings  20
Part II - Features 21
Parallel Adaptive Multilevel Finite Elements 23
Computable Error Bounds for Delay Differential Equations 25
Making Optical "Schroedinger Cat" States 28
Modeling the Rheological Properties of Suspensions 30
Computation, Visualization of Nano-structures and Nano-optics 33
Error Correction for Electromagnetic Motion Tracking Systems 36
Automated Combinatorial Testing for Software Systems 38
Math Search 40
Part III - Project Summaries43
Mathematics of Metrology  45
     The Lipschitz Exponent as an Image Metrology Tool  45
     Systems Identification and Parameter Estimation  46
     Sparse Representations in High Dimensional Geometry  47
     Sequential Importance Sampling and the Markov Chain Monte Carlo Method  47
Quantum Information  49
     Quantum Computing with Ion Traps  49
     Quantum Computing Theory  50
     Preparing Ancillary States for Quantum Computation  50
     Adaptive Finite Element Modeling of Two Confined and Interacting Atoms  51
Fundamental Mathematical Software Development and Testing  52
     OOF: Finite Element Analysis of Material Microstructures  52
     Sparse BLAS Standardization  53
     TNT: Object Oriented Numerical Programming  53
     SciMark, a Web-based Benchmark for Numerical Computing in Java  53
Mathematical Knowledge Management  55
     Digital Library of Mathematical Functions  55
     Cultivating (Legacy) Mathematical Data  57
     Visualization of Complex Function Data  58
High Performance Computing  59
     High Precision Hy-CI Variational Calculations on Small Atomic Systems  59
     Screen Saver Science  60
     Computational Modeling of Cement Paste Hydration and Microstructure Development  60
     Physics Models for Transport in Compound Semiconductors  61
High Performance Visualization  63
     Virtual Cement and Concrete Testing Laboratory  63
     Visualization of Cement Paste Hydration and Microstructure Development  63
     Three-D Desktop  64
     Visualization of Network Dynamics  65
     Monitoring Change in Lung Tumors  66
Mathematical Applications: Mechanical Systems and Processes  69
     Application of Optimization Techniques to Design for Multi-Hazard Conditions  69
     Instability in Pipe Flow  69
     Materials Data and Metrology for Applications to Machining Processes, Frangible Ammunition, and Body Armor  70
Mathematical Applications: Electromagnetic Systems  72
     Micromagnetic Modeling  72
     Time-Domain Algorithms for Computational Electromagnetics  73
     Laser Pulse Shape Measurement for Laser Guidance and Range Finding  73
     Modeling of Optical Spectra  75
Mathematical Applications: Chemistry and Biology  76
     Modeling of Photochemical Reactions in a Focused Laser Beam  76
     Optical Coherence Tomography for Biomedical Imaging  76
     Accuracy and Standards for X-ray Measurements of Bone Mineral Density  77
     Monitoring and Modeling Change in Lung Tumors  78
     Computational Biology and Cell Imaging  81
Mathematical Applications: Information Technology  76
     Foundations of Measurement Science for Information Systems  82
     Methods for Characterizing Massive Networks  83
     Analysis of a Distributed Protocol for Network Control  84
     Standard Reference Data for Complex Network Research  84
Part IV - Activity Data 87
Publications 89
Presentations 93
Software Released 96
Conferences, Minisymposia, Lecture Series, Short-courses 96
Other Professional Activities 97
External Contacts 98
Part V - Appendices 101
Staff 103
Glossary of Acronyms 106

Disclaimer. Identification of commercial products in this report does not imply recommendation or endorsement by NIST.

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