Search Publications

Displaying 76 - 100 of 904

Coarse-grain models of polymer melts: Tools and methods for preserving structure and dynamics

June 27, 2022

Author(s)

Frederick R. Phelan Jr., Lilian Johnson

We are developing software and data tools which parametrize coarse-grained force-fields in a systematic way while preserving the chemistry, thermodynamics, and dynamics of the underlying atomistic system. Our approach is based on statistical thermodynamics

Utility of integral representations for basic hypergeometric functions and orthogonal polynomials

June 23, 2022

Author(s)

Roberto S. Costas-Santos, Howard Cohl

We describe the utility of integral representations for sums of basic hypergeometric functions. In particular we use these to derive an infinite sequence of transformations for symmetrizations over certain variables which the functions possess. These

An Analysis of the Hybrid Internal Mass Modeling Approach in EnergyPlus

June 22, 2022

Author(s)

Zhelun Chen, Jin Wen, Steven T. Bushby, L James Lo, Zheng O'Neill, Vance (Wm.) Payne, Amanda Pertzborn, Caleb Calfa, Yangyang Fu, Gabriel Grajewski, Yicheng Li, Zhiyao Yang

Accurate simulation of building system dynamics is particularly important for understanding building energy flexibility. Among all dynamics in a building, a zone temperature's variation is especially important, as it significantly affects a building's

Expansion for a fundamental solution of Laplace's equation in flat-ring cyclide coordinates

June 3, 2022

Author(s)

Howard Cohl, Hans Volkmer, Lijuan Bi

We derive an expansion for the fundamental solution of Laplace's equation in flat-ring coordinates in three-dimensional Euclidean space. This expansion is a double series of products of functions that are harmonic in the interior and exterior of "flat

Conformational heterogeneity of UCAAUC RNA oligonucleotide from molecular dynamics simulations, SAXS and NMR experiments

April 28, 2022

Author(s)

Christina Bergonzo, Alexander Grishaev, Sandro Bottaro

We describe the conformational ensemble of the single-stranded r(UCAAUC) oligonucleotide obtained using extensive molecular dynamics (MD) simulations. The conformations observed in MD consist of A-form-like structures and variations thereof. By comparing

Data-Driven RRAM Device Models using Kriging Interpolation

April 8, 2022

Author(s)

Imtiaz Hossen, Mark Anders, Lin Wang, Gina Adam

Comparative Verification & Validation of Digital Mathematical Libraries and Computer Algebra Systems

March 30, 2022

Author(s)

Howard Cohl, Abdou Youssef, Andre Greiner Petter, Moritz Schubotz, Bela Gipp, Akiko Aizawa, Avi Trost, Rajen Dey

Digital Mathematical Libraries assemble the knowledge of years of mathematical research. Numerous disciplines (e.g., physics, engineering, pure and applied mathematics) rely heavily on compendia gathered findings. Likewise, modern research relies more and

On the relation between Gegenbauer polynomials and the Ferrers function of the first kind

March 30, 2022

Author(s)

Roberto S. Costas-Santos, Howard Cohl

Using the direct relation between the Gegenbauer polynomials C_n^λ(x) and the Ferrers function of the first kind P_μ^ν(x), we compute interrelations between certain Jacobi polynomials, Meixner polynomials, and Ferrers functions of the first and second kind

Method of Moment Analysis of Carbon Nanotubes Embedded in A Lossy Dielectric Slab Using A Multilayer Dyadic Green's Function

March 28, 2022

Author(s)

Edward Garboczi, Sumitra Dey, Ahmed Hassan, Deb Chatterjee

Modeling the electromagnetic response of Carbon Nanotube (CNT) reinforced composites is inherently a three dimensional (3D) multi-scale problem that is challenging to solve in real-time for nondestructive evaluation applications. This article presents a

Bi-Criteria Radio Spectrum Sharing with Subspace-Based Pareto Tracing

March 22, 2022

Author(s)

Zachary J. Grey, Susanna Mosleh, Jake Rezac, Yao Ma, Jason Coder, Andrew Dienstfrey

Radio spectrum is a scarce resource. To meet demands, new wireless technologies must operate in shared spectrum over unlicensed bands (coexist). We consider coexistence of Long-Term Evolution (LTE) License-Assisted Access (LAA) with incumbent Wi-Fi systems

Flexible Software for Rigorous Simulations of Magnetic Particle Imaging Systems

March 21, 2022

Author(s)

Klaus Natorf Quelhas, Mark-Alexander Henn, Thinh Bui, Hunter Wages, Weston L. Tew, Solomon I. Woods

Modeling of Magnetic Particle Imaging (MPI) systems allows for developing and testing novel methods for image reconstruction and simulating various setups without the need of real-life measurement data. Here we describe the the initial development of a C++

Uncertainty estimation for 2D magnetic particle imaging

March 21, 2022

Author(s)

Mark-Alexander Henn, Klaus Natorf Quelhas, Solomon I. Woods

Magnetic Particle Imaging (MPI) has in recent years been established as a powerful imaging tool that measures thenon-linear magnetic response of magnetic particles to an applied field. Obtaining quantitative information fromthese images in the form of a

Verifying Executability of SysML Behavior Models Using Alloy Analyzer

February 24, 2022

Author(s)

Jeremy Doerr, Conrad Bock, Raphael Barbau

This report presents an approach to verifying executability of system behavior models by treating them as logical constraint problems solved using Alloy Analyzer, a non-proprietary software tool supporting a textual language for logical constraints and

Analyzing 5G NR-U and WiGig Coexistence with Multiple-Beam Directional LBT

February 15, 2022

Author(s)

Yao Ma, Susanna Mosleh, Jason Coder

The mmWave radio frequency (RF) spectrum allocations provide a large bandwidth and an excellent dynamic spectrum sharing (DSS) opportunity for emerging 5G New-Radio unlicensed (NR-U) and Wireless Gigabit (WiGig) services. To support constructive DSS, we

Enhancing Multi-RAT Coexistence in Unlicensed mmWave Bands Using Hybrid-Beamforming

February 2, 2022

Author(s)

Susanna Mosleh, Yao Ma, Jason Coder

The radio spectrum is becoming an increasingly scarce and valuable resource to such an extent that sharing the unlicensed bands is inevitable. In this work, we consider a multicell, multi-user massive multiple-input multiple-output (MIMO) coexistence