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Molecular Dynamics Simulations of the Structures and Properties of Aluminosilicate and Borosilicate Glasses

Description: Silicate glasses are the most common glass types and have impact on almost every aspect in our lives: from window, containers, to glass fibers for telecommunications. Unlike their crystalline counterparts, glass materials lack long-range order in their atomic arrangement but their structures do possess short and medium range characteristics that play critical roles in their physical and chemical properties. Despite active development of characterization techniques that have contributed to the u… more
Date: December 2018
Creator: Ren, Mengguo
Partner: UNT Libraries
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Electrodeposition of Nickel and Nickel Alloy Coatings with Layered Silicates for Enhanced Corrosion Resistance and Mechanical Properties

Description: The new nickel/layered silicate nanocomposites were electrodeposited from different pHs to study the influence on the metal ions/layered silicate plating solution and on the properties of the deposited films. Nickel/layered silicate nanocomposites were fabricated from citrate bath atacidic pHs (1.6−3.0), from Watts’ type solution (pH ~4-5), and from citrate bath at basic pH (~9). Additionally, the new nickel/molybdenum/layered silicate nanocomposites were electrodeposited from citrate bath at p… more
Date: August 2014
Creator: Tientong, Jeerapan
Partner: UNT Libraries
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CHARACTERIZATION OF TANK 16H ANNULUS SAMPLES PART II: LEACHING RESULTS

Description: The closure of Tank 16H will require removal of material from the annulus of the tank. Samples from Tank 16H annulus were characterized and tested to provide information to evaluate various alternatives for removing the annulus waste. The analysis found all four annulus samples to be composed mainly of Si, Na, and Al and lesser amounts of other elements. The XRD data indicate quartz (SiO{sub 2}) and sodium aluminum nitrate silicate hydrate (Na{sub 8}(Al{sub 6}Si{sub 6}O{sub 24})(NO{sub 3}){sub … more
Date: June 19, 2012
Creator: Hay, M. & Reboul, S.
Partner: UNT Libraries Government Documents Department
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Initial Examination of Low Velocity Sphere Impact of Glass Ceramics

Description: This report summarizes US Army TARDEC sponsored work at Oak Ridge National Laboratory (ORNL) involving low velocity (< 30 m/s or < 65 mph) sphere impact testing of two materials from the lithium aluminosilicate family reinforced with different amounts of ceramic particulate, i.e., glass-ceramic materials, SCHOTT Resistan{trademark}-G1 and SCHOTT Resistan{trademark}-L. Both materials are provided by SCHOTT Glass (Duryea, PA). This work is a follow-up to similar sphere impact studies comple… more
Date: June 1, 2012
Creator: Morrissey, Timothy G.; Fox, Ethan E.; Wereszczak, Andrew A. & Ferber, Mattison K.
Partner: UNT Libraries Government Documents Department
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Low Velocity Sphere Impact of a Borosilicate Glass

Description: This report summarizes US Army TARDEC sponsored work at Oak Ridge National Laboratory (ORNL) involving low velocity (< 30 m/s or < 65 mph) ball impact testing of Borofloat borosilicate glass, and is a follow-up to a similar study completed by the authors on Starphire soda-lime silicate glass last year. The response of the borosilicate glass to impact testing at different angles was also studied. The Borofloat glass was supplied by the US Army Research Laboratory and its tin-side was impac… more
Date: May 1, 2012
Creator: Morrissey, Timothy G.; Ferber, Mattison K.; Wereszczak, Andrew A. & Fox, Ethan E.
Partner: UNT Libraries Government Documents Department
open access

CHARACTERIZATION OF TANK 16H ANNULUS SAMPLES

Description: The closure of Tank 16H will require removal of material from the annulus of the tank. Samples from Tank 16H annulus were characterized and tested to provide information to evaluate various alternatives for removing the annulus waste. The analysis found all four annulus samples to be composed mainly of Si, Na, and Al and lesser amounts of other elements. The XRD data indicate quartz (SiO{sub 2}) and sodium aluminum nitrate silicate hydrate (Na{sub 8}(Al{sub 6}Si{sub 6}O{sub 24})(NO{sub 3}){sub … more
Date: April 16, 2012
Creator: Hay, M. & Reboul, S.
Partner: UNT Libraries Government Documents Department
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Uptakes of CS and SR on San Joaquin Soil Measured Following Astm Method c1733.

Description: Series of tests were conducted following ASTM Standard Procedure C1733 to evaluate the repeatability of the test and the effects of several test parameters, including the solution-to-soil mass ratio, test duration, pH, and the concentrations of contaminants in the solution. This standard procedure is recommended for measuring the distribution coefficient (K{sub d}) of a contaminant in a specific soil/groundwater system. One objective of the current tests was to identify experimental conditions … more
Date: April 4, 2012
Creator: Ebert, W.L. & Petri, E.T. (Chemical Sciences and Engineering Division)
Partner: UNT Libraries Government Documents Department
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Efficient Theoretical Screening of Solid Sorbents for CO2 Capture Applications*

Description: By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials has been proposed and validated. The ab initio thermodynamic technique has the advantage of allowing identification of thermodynamic properties of CO2 capture reactions without any experimental input beyond crystallographic stru… more
Date: March 31, 2012
Creator: Duan, Yuhua; Luebke, David & Pennline, Henry
Partner: UNT Libraries Government Documents Department
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Temporary Cementitious Sealers in Enhanced Geothermal Systems

Description: Unlike conventional hydrothennal geothermal technology that utilizes hot water as the energy conversion resources tapped from natural hydrothermal reservoir located at {approx}10 km below the ground surface, Enhanced Geothermal System (EGS) must create a hydrothermal reservoir in a hot rock stratum at temperatures {ge}200 C, present in {approx}5 km deep underground by employing hydraulic fracturing. This is the process of initiating and propagating a fracture as well as opening pre-existing fra… more
Date: December 31, 2011
Creator: Sugama, T.; Pyatina, T.; Butcher, T.; Brothers, L. & Bour, D.
Partner: UNT Libraries Government Documents Department
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SOLID PHASE CHARACTERIZATION OF HEEL SAMPLES FROM TANK 241-C-110

Description: During sluicing operations of tank 241-C-110, a significant amount of solids were unable to be retrieved. These solids (often referred to as the tank 'heel') were sampled in 2010 and chemically and mineralogically analyzed in the 222-S Laboratory. Additionally, dissolution tests were performed to identify the amount of undissolvable material after using multiple water contacts. This report covers the solid phase characterization of six samples from these tests using scanning electron microscopy… more
Date: December 1, 2011
Creator: Page, J. S.; Cooke, G. A.; Pestovich, J. A. & Huber, H. J.
Partner: UNT Libraries Government Documents Department
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A Brief Review of Viscosity Models for Slag in Coal Gasification

Description: Many researchers have defined the phenomenon of 'slagging' as the deposition of ash in the radiative section of a boiler, while 'fouling' refers to the deposition of ash in the convective-pass region. Among the important parameters affecting ash deposition that need to be studied are ash chemistry, its transport, deposit growth, and strength development; removability of the ash deposit; heat transfer mechanisms; and the mode of operation for boilers. The heat transfer at the walls of a combusto… more
Date: November 1, 2011
Creator: Massoudi, Mehrdad & Wang, Ping
Partner: UNT Libraries Government Documents Department
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Low Velocity Sphere Impact of a Soda Lime Silicate Glass

Description: This report summarizes TARDEC-sponsored work at Oak Ridge National Laboratory (ORNL) during the FY11 involving low velocity (< 30 m/s or < 65 mph) ball impact testing of Starphire soda lime silicate glass. The intent was to better understand low velocity impact response in the Starphire for sphere densities that bracketed that of rock. Five sphere materials were used: borosilicate glass, soda-lime silicate glass, steel, silicon nitride, and alumina. A gas gun was fabricated to produce con… more
Date: October 1, 2011
Creator: Wereszczak, Andrew A.; Fox, Ethan E.; Morrissey, Timothy G. & Vuono, Daniel J.
Partner: UNT Libraries Government Documents Department
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Effect of MgO Additive on Volumetric Expansion of Self-Degradable Cements

Description: We identified hard-burned magnesium oxide (MgO) as a suitable expansive additive for improving the plugging performance of self-degradable, temporary sodium silicate-activated slag/Class C fly ash (SSASC) blend cement sealers into rock fractures in Enhanced Geothermal Systems (EGSs). MgO extended the volumetric expansion of sealers during their exposure to a hydrothermal environment at 200 C under pressures, ranging from 300 to 1500 psi. A great expansion ratc of 19.3% was observed by adding 3.… more
Date: September 30, 2011
Creator: Sugama, T.; Warren, J. & Butcher, T.
Partner: UNT Libraries Government Documents Department
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Summary Report: Glass-Ceramic Waste Forms for Combined Fission Products

Description: Glass-ceramic waste form development began in FY 2010 examining two combined waste stream options: (1) alkaline earth (CS) + lanthanide (Ln), and (2) + transition metal (TM) fission-product waste streams generated by the uranium extraction (UREX+) separations process. Glass-ceramics were successfully developed for both options however; Option 2 was selected over Option 1, at the conclusion of 2010, because Option 2 immobilized all three waste streams with only a minimal decrease in waste loadin… more
Date: September 23, 2011
Creator: Crum, Jarrod V.; Riley, Brian J.; Turo, Laura A.; Tang, Ming & Kossoy, Anna
Partner: UNT Libraries Government Documents Department
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ONE-DIMENSIONAL PLASMONIC NANO-PHOTOCATALYSTS: SYNTHESIS, CHARACTERIZATION AND PHOTOCATALYTIC ACTIVITY

Description: This study describes a simple two-step approach to coat gold nanorods with a silica/titania shell. Gold nanorods with an aspect ratio of 2.5 (L = 48 {+-} 2 and d = 19 {+-} 1) are synthesized by a silver-seed mediated growth approach according to our previously reported procedure (Hunyadi Murph ACS Symposium Series, Volume 1064, Chapter 8, 2011, 127-163 and reference herein). Gold nanorods are grown on pre-formed gold nano-seeds in the presence of surfactant, cetyltrimethylammonium bromide (CTAB… more
Date: August 14, 2011
Creator: Murph, S.
Partner: UNT Libraries Government Documents Department
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IMPACTS OF SMALL COLUMN ION EXCHANGE STREAMS ON DWPF GLASS FORMULATION: KT08, KT09, AND KT10-SERIES GLASS COMPOSITIONS

Description: This report is the fourth in a series of studies of the impacts of the addition of Crystalline Silicotitanate (CST) and Monosodium Titanate (MST) from the Small Column Ion Exchange (SCIX) process on the Defense Waste Processing Facility (DWPF) glass waste form and the applicability of the DWPF process control models. MST from the Salt Waste Processing Facility (SWPF) is also considered in the study. The KT08-series of glasses was designed to evaluate any impacts of the inclusion of uranium and … more
Date: April 26, 2011
Creator: Fox, K. & Edwards, T.
Partner: UNT Libraries Government Documents Department
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Self-degradable Slag/Class F Fly Ash-Blend Cements

Description: Self-degradable slag/Class F fly ash blend pozzolana cements were formulated, assuming that they might serve well as alternative temporary fracture sealers in Enhanced Geothermal System (EGS) wells operating at temperatures of {ge} 200 C. Two candidate formulas were screened based upon material criteria including an initial setting time {ge} 60 min at 85 C, compressive strength {ge} 2000 psi for a 200 C autoclaved specimen, and the extent of self-degradation of cement heated at {ge} 200 C for i… more
Date: March 1, 2011
Creator: Sugama, Toshifumi; Warren, John; Butcher, Thomas; Hallibuton, Lance Brothers & Bour, Daniel
Partner: UNT Libraries Government Documents Department
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SUMMARY OF 2010 DOE EM INTERNATIONAL PROGRAM STUDIES OF WASTE GLASS STRUCTURE AND PROPERTIES

Description: Collaborative work between the Savannah River National Laboratory (SRNL) and SIA Radon in Russia was divided among three tasks for calendar year 2010. The first task focused on the study of simplified high level waste glass compositions with the objective of identifying the compositional drivers that lead to crystallization and poor chemical durability. The second task focused on detailed characterization of more complex waste glass compositions with unexpectedly poor chemical durabilities. The… more
Date: February 7, 2011
Creator: Fox, K.; Choi, A.; Marra, J. & Billings, A.
Partner: UNT Libraries Government Documents Department
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EFFICIENT THEORETICAL SCREENING OF SOLID SORBENTS FOR CO2 CAPTURE APPLICATIONS

Description: Carbon dioxide is a major combustion product of coal, which once released into the air can contribute to global climate change. Current CO2 capture technologies for power generation processes including amine solvents and CaO-based sorbent materials require very energy intensive regeneration steps which result in significantly decreased efficiency. Hence, there is a critical need for new materials that can capture and release CO2 reversibly with acceptable energy costs if CO2 is to be captured a… more
Date: January 1, 2011
Creator: Duan, Yuhua; Sorescu, Dan C & Luebke, David
Partner: UNT Libraries Government Documents Department
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Simulation of Infrared Laser Heating of Silica Using Heat Conduction and Multifrequency Radiation Diffusion Equations Adapted for Homogeneous Refractive Lossy Media

Description: Localized, transient heating of materials using micro-scale, highly absorbing laser light has been used in many industries to anneal, melt and ablate material with high precision. Accurate modeling of the relative contributions of conductive, convective and radiative losses as a function of laser parameters is essential to optimizing micro-scale laser processing of materials. In bulk semi-transparent materials such as silicate glass melts, radiation transport is known to play a significantly la… more
Date: October 28, 2010
Creator: Shestakov, A I; Matthews, M J; Vignes, R M & Stolken, J S
Partner: UNT Libraries Government Documents Department
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Self-degradable Cementitious Sealing Materials

Description: A self-degradable alkali-activated cementitious material consisting of a sodium silicate activator, slag, Class C fly ash, and sodium carboxymethyl cellulose (CMC) additive was formulated as one dry mix component, and we evaluated its potential in laboratory for use as a temporary sealing material for Enhanced Geothermal System (EGS) wells. The self-degradation of alkali-activated cementitious material (AACM) occurred, when AACM heated at temperatures of {ge}200 C came in contact with water. We… more
Date: October 1, 2010
Creator: Sugama, T. & Butcher, T., Lance Brothers, Bour, D.
Partner: UNT Libraries Government Documents Department
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Mesoporous Silica-Supported Metal Oxide-Promoted Rh Nanocatalyst for Selective Production of Ethanol from Syngas

Description: The objective is to develop a process that will convert synthesis gas from coal into ethanol and then transform the ethanol into hydrogen. Principal investigators from Iowa State University include Dr. George Kraus, Dr. Victor Lin, Marek Pruski, and Dr. Robert Brown. Task 1 involves catalyst development and catalyst scale up. Mesoporous manganese silicate mixed oxide materials will be synthesized, characterized and evaluated. The first-and secondgeneration catalysts have been prepared and scale… more
Date: September 30, 2010
Creator: Kraus, George
Partner: UNT Libraries Government Documents Department
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Subduction Controls of Hf and Nd Isotopes in Lavas of the Aleutian Island Arc

Description: The Hf and Nd isotopic compositions of 71 Quaternary lavas collected from locations along the full length of the Aleutian island arc are used to constrain the sources of Aleutian magmas and to provide insight into the geochemical behavior of Nd and Hf and related elements in the Aleutian subduction-magmatic system. Isotopic compositions of Aleutian lavas fall approximately at the center of, and form a trend parallel to, the terrestrial Hf-Nd isotopic array with {var_epsilon}{sub Hf} of +12.0 to… more
Date: August 29, 2010
Creator: Yogodzinski, Gene; Vervoort, Jeffery; Brown, Shaun Tyler & Gerseny, Megan
Partner: UNT Libraries Government Documents Department
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Alternative Electrochemical Salt Waste Forms, Summary of FY2010 Results

Description: In FY2009, PNNL performed scoping studies to qualify two waste form candidates, tellurite (TeO2-based) glasses and halide minerals, for the electrochemical waste stream for further investigation. Both candidates showed promise with acceptable PCT release rates and effective incorporation of the 10% fission product waste stream. Both candidates received reprisal for FY2010 and were further investigated. At the beginning of FY2010, an in-depth literature review kicked off the tellurite glasses st… more
Date: August 1, 2010
Creator: Riley, Brian J.; Rieck, Bennett T.; Crum, Jarrod V.; Matyas, Josef; McCloy, John S.; Sundaram, S. K. et al.
Partner: UNT Libraries Government Documents Department
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