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Mathematics & Statistics

Modeling & simulation research

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Displaying 326 - 350 of 904

Energy Renormalization Method for the Coarse-Graining of Polymer Viscoelasticity

May 10, 2018
Author(s)
Jake Song, David D. Hsu, Kenneth R. Shull, Frederick R. Phelan Jr., Jack F. Douglas, Wenjie Xia, Sinan Keten
Developing time and temperature transferable coarse-grained (CG) models is essential for the computational prediction and design of polymeric glass-forming materials, but this goal has remained elusive. The dynamics of CG models are often greatly altered

Evaluating Predictors of Congestion Collapse in Communication Networks

April 23, 2018
Author(s)
Christopher E. Dabrowski, Kevin L. Mills
Researchers model congestion in communication networks using a percolation process, where congestion spreads minimally before a critical load and expands rapidly afterwards. Some studies identify precursor signals arising near critical load, but none

Refined Calculations of Synchrotron Radiation for NISTs SURF III Facility

April 16, 2018
Author(s)
Eric L. Shirley, Mitchell L. Furst, Uwe Arp
We have developed a new method for exact calculation of synchrotron radiation for the National Institute of Standards and Technology Synchrotron Ultraviolet Radiation Facility, SURF III. Instead of using the Schwinger formula, which is only an

UNCERTAINTY IN MULTI-SCALE CREEP RUPTURE LIFE MODELING AND A NEW APPROACH TO ESTIMATING FREQUENCY OF IN-SERVICE INSPECTION OF COMPONENTS AT ELEVATED TEMPERATURES (*)

April 3, 2018
Author(s)
Jeffrey T. Fong, Nathanael A. Heckert, James J. Filliben, Marvin J. Cohn
Uncertainty in modeling the creep rupture life of a full-scale component using experimental data at microscopic (Level 1), specimen (Level 2), and full-size (Level 3) scales, is addressed by applying statistical theory of prediction intervals, and that of

Metastable morphological states of catalytic nanoparticles

March 1, 2018
Author(s)
Pin A. Lin, Bharath N. Natarajan, Michael P. Zwolak, Renu Sharma
During the catalytic synthesis of graphene, nanotubes, fibers, and other nanostructures, many intriguing phenomena occur, such as phase separation, precipitation, and processes similar to capillary action. The underlying mechanism of these processes and

Semiempirical Configuration Interaction Calculations for RuCentered Dyes

February 18, 2018
Author(s)
Lisa A. Fredin, Thomas C. Allison
Computational investigation of of the photochemical properties of transition-metal-centered dyes typically involves optimization of the molecular structure followed by calculation of the UV/Visible spectrum. At present, these steps are usually carried out

The orthogonality of Al-Salam-Carlitz polynomials for complex parameters

January 31, 2018
Author(s)
Howard Cohl, Wenqing Xu, Roberto Costas-Santos
In this contribution, we study the orthogonality conditions satisfied by Al-Salam-Carlitz polynomials $U^(a)}_n(x;q)$ when the parameters $a$ and $q$ are not necessarily real nor 'classical'. We establish orthogonality on a simple contour in the complex