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Journals

Molecular Modeling of the Thermal Decomposition of Polymers

October 12, 2021

Author(s)

S I. Stoliarov, H Zhang, P R. Westmoreland, R Lyon, Marc R. Nyden

Applications presented in this work demonstrate the potential for using quantum mechanics and molecular simulations to determine the mechanisms and rates of the...

The Use of 1,2-Dimethyl-3-(Benzyl Ethyl Iso-Butyl Poss)Imidszolium Chloride as an Organic Modifier in Polymer Layered Silicate Nanocomposites--A Dual Nanocomposites Approach

October 12, 2021

Author(s)

D M. Fox, P H. Maupin, S Bellayer, M Murariu, Jeffrey W. Gilman, Hugh C. De Long

A Reactive Molecular Dynamics Model of Thermal Decomposition in Polymers: II. Polyisobutylene

October 12, 2021

Author(s)

S I. Stoliarov, R Lyon, Marc R. Nyden

This is the second manuscript in a series of publications continuing the development and application of a method for investigation of the thermal decomposition...

Synthesis and Characterization of Siloxy-Containing Imidazolium Ionic Liquids

October 12, 2021

Author(s)

Paul A. Wheeler, Jeffrey W. Gilman, L J. Mathias

A novel family of siloxy-containing imidazolium ionic liquids was synthesized and their thermal and decomposition properties studied. Three of the four...

Development and Interpretation of the Security Rating Index

October 12, 2021

Author(s)

Jonathan Sylvie, Stephen R. Thomas, Sang-Hoon Lee, Robert E. Chapman

This article is a follow-on publication to Addressing Security in the Early Stages of the Project Life Cycle. It details the development and interpretation of...

Spherical Harmonic-Based Random Fields for Aggregates Used in Concrete

October 12, 2021

Author(s)

Mircea Grigoriu, Edward Garboczi, C Kafali

Macromodel-Based Simulation of Progressive Collapse: Steel Frame Structures

October 12, 2021

Author(s)

K Khandelwal, Sherif El-Tawil, Sashi Kunnath, Fahim H. Sadek, Hai S. Lew

Transport Kinetics of Methanol in Hydroxyethyl Methacrylate Homopolymer and Its Copolymers

October 12, 2021

Author(s)

C-S Tsai, S H. Lee, Tinh Nguyen

The kinetics of methanol transport in 2-hydroxyethyl methacrylate (HEMA) homopolymer and 75/25 and 50/50 mole fraction HEMA/DHPMA (2,3-dihydroxypropyl...

Some Properties of Irregular 3-D Particles

October 12, 2021

Author(s)

Michael A. Taylor, Edward Garboczi, S T. Erdogan, D Fowler

This paper discusses some of the properties of irregular particles that are of interest to engineers, including volume, density, & surface area. Numerical and...

Three-Dimensional Shape Analysis of Coarse Aggregates: Methodology and Preliminary Results on Several Different Coarse Aggregates

October 12, 2021

Author(s)

S T. Erdogan, P N. Quiroga, D Fowler, H A. Saleh, Richard A. Livingston, Edward Garboczi, Peter M. Ketcham, John G. Hagedorn, Steven G. Satterfield

The shape of aggregates used in concrete is an important parameter that helps determine many concrete properties. The mathematical technique of spherical...

Impedance/Dielectric Spectroscopy of Electroceramics. Part 2: Grain Shape Effects and Local Properties of Polycrystalline Ceramics

October 12, 2021

Author(s)

N Kidner, Z J. Homrighaus, B J. Ingram, T Mason, Edward Garboczi

The reduction of grain size from the microcrystalline regime into the nanocrystalline regime is known to produce significant changes in the transport properties...

Macromodel-Based Simulation of Progressive Collapse: RC Frame Structures

October 12, 2021

Author(s)

Yihai Bao, Sashi Kunnath, Sherif El-Tawil, Hai S. Lew

Influence of Hydrate Dissolution by Water on the Young s Modulus of Cement-Based Materials

October 12, 2021

Author(s)

S Kamali, M Moranville, Edward Garboczi, S Prene, B Gerard

Leaching of concrete by water may severely damage structures like radioactive waste depositories or water supply stations. This paper presents the influence of...

Wind-Tunnel Model Scale and Estimates of Wind Effects on Low-Rise Buildings

October 12, 2021

Author(s)

Michael A. Riley, Emil Simiu

Although the wind load provisions of many modern building codes are based on the results of wind tunnel testing, some effects of model scale and pressure tap...

An Algorithm for Computing the Compressive Strength of Heterogeneous Cohesive-Frictional Materials - Application to Cement Paste

October 12, 2021

Author(s)

F P. Ganneau, F -. Ulm, J Gondzio, Edward Garboczi

An algorithm based on a finite element discretization of the lower bound yield theorem is applied to digital images, which allows the determination of the...

Role of Substrate Material in Failure of Crown-Like Layer Structures

October 12, 2021

Author(s)

Jeonghwan Kim, Sanjit Bhowmick, Herzl Chai, Brian R. Lawn

The role of substrate modulus on critical loads to initiate and propagate radial cracks to failure in curved brittle glass shells on compliant polymeric...

Thermal Properties of Pyroceram Code 9606

October 12, 2021

Author(s)

Daniel R. Flynn, James H. Yen, James J. Filliben, Robert R. Zarr, E M. Hohlfeld

In the late 1950s, Corning Glass Works measured the heat capacity, thermal diffusivity, and thermal expansion of Pyroceram Code 9606. In the early 1960s the...

Interface-Anisotropy Induced Asymmetry of Intermixing in Bilayers

October 12, 2021

Author(s)

P Sule, M. Menyhard, L Kotis, J Labar, William F. Egelhoff Jr.

The ion-sputtering induced intermixing is studied by molecular dynamics (MD) simulations and by Auger electron spectroscopy depth profiling (AES-SP) analysis in...

Displacive Phase Transition in SrTiO₃ Thin Films Grown on Si(001)

October 12, 2021

Author(s)

F S. Aguirre-Tostado, A Herrera-Gomez, Joseph Woicik, R Droopad, Z Yu, D G. Schlom, E Karapetrova, P Zschack

Polarization dependent x-ray absorption fine structure measurements performed at the Ti K edge together with x-ray diffraction have been used to study the local...

Electron Backscatter Diffraction Investigation of a Nano-Crystalline Pt Thin Film

October 12, 2021

Author(s)

T Maitland, X Han, Mark D. Vaudin, G R. Fox, M Coy

A polycrystalline Pt thin film deposited on a cut Si single crystal wafer coated with SiO2 and a TiO2 adhesion layer was studied using automated electron...

The Effects of Water on the Fatigue Behavior for Pultruded Glass-Reinforced Composite

October 12, 2021

Author(s)

Kate Liao, Carl R. Schultesiz, Donald L. Hunston, L C. Brinson

Pultruded composites are finding increasing use in infrastructure and marine applications where they see prolonged exposure to environmental factors such as...

Damage Assessment on Magnetic Hard Disks Due to Nanoasperity Impacts at Head-Disk Interface

October 12, 2021

Author(s)

Tze-Jer Chuang, Stephen M. Hsu

A 3D finite element model is constructed to simulate the local impact and its aftermath.For a given design of the disk structure with known elastic/plastic and...

NEMI's Characterization of Lead-Free Alloy Applicable to Today's Commercially Available Alloys

October 12, 2021

Author(s)

A -. Rae, C A. Handwerker

Invited article in Circuits Assembly magazine that discusses how the NEMI Project's extensive characterization of the NEMI Sn-Ag-Cu alloy applies to other...

Effects of Long Wavelength UV Irradiation on PFPE Molecular Bonding on CN_x for Magnetic Recording Hard Disks

October 12, 2021

Author(s)

J Zhang, Stephen M. Hsu, T Y. Liew

The use of long wavelength UV irradiation (320 to 390 nm) to induce bonding of a perffluoropolyether (PFPEP on CNx disks has been successfully demonstrated...

The Nanostructure Problem

October 12, 2021

Author(s)

Simon J. Billinge, Igor Levin

The powerful methods we have for solving the atomic structure of bulk crystals fail for nanostructured materials and there are currently no broadly applicable...

Direct Measurement of Valence Charge Asymmetry in GaAs Using X-Ray Standing Waves

October 12, 2021

Author(s)

E Nelson, Joseph Woicik

Through detection of valence photoelectrons, the technique of x-ray standing waves directly measured the charge asymmetry of the GaAs valence band. Using the...

Tailoring the High-K Gate Dielectric/Sillicon Interface for CMOS Applications

October 12, 2021

Author(s)

Y S. Lin, R Puthenkovilakam, J P. Chang, C P. Bouldin, Igor Levin, Nhan Van Nguyen, Y Sun, P Pianetta, T Conard, W Vandervorst, V Venturo, S Selbrede

The interfacial properties, thermal stabilities, and the electrical characteristics of ZrO 2/ Si and ZrO 2/SiO 2/Si were investigated and the interfacial layer...

Comparison of Solid-State Microwave Annealing With Conventional Furnace Annealing of Ion-Implanted SiC

October 12, 2021

Author(s)

Siddarth Sundaresan, M V. Rao, Yong-lai Tian, John A. Schreifels, M. Wood, K Jones, Albert Davydov

Rapid solid-state microwave annealing was performed for the first time on N-, Al-, and B-implanted SiC and the results were compared with the conventional...

Surface Energy Anisotropy of SrTiO₃ at 1400 C in Air

October 12, 2021

Author(s)

T Sano, D M. Saylor, G S. Rohrer

Geometric and crystallographic measurements of grain boundary thermal grooves and surface faceting behavior as a function of orientation have been used to...

Quantitative Evaluation of Perfluorinated Alkylthiol Molecular Order on Gold Surfaces

October 12, 2021

Author(s)

L Gamble, D Radford, Daniel A. Fischer, D W. Grainger, David G. Castner

Self-assembled monolayers (SAMs) of perfluoroalkylthiols [CF 3(CF 2) xCH 2CH 2SH (x=3, 5, 7, and 9)] on gold were examined by X-ray photoelectron spectroscopy...

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