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Space-time thermodynamics of the glass transition (open access)

Space-time thermodynamics of the glass transition

We consider the probability distribution for the fluctuations in the dynamical action of glass forming materials. We argue that the so-called glass transition is a manifestation of low action tails in these distributions where the entropy of trajectory space is sub-extensive in time. These low action tails are a consequence of dynamic heterogeneity and an indication of phase coexistence in trajectory space. The glass transition, where the system falls out of equilibrium, is then an order-disorder phenomenon in space-time occurring at a temperature T{sub g} which is a weak function of measurement time. We illustrate our perspective ideas with facilitated lattice models, and note how these ideas apply more generally.
Date: January 31, 2005
Creator: Merolle, Mauro; Garrahan, Juan P. & Chandler, David
System: The UNT Digital Library
The low cost of geological assessment for underground CO2 storage: Policy and economic implications (open access)

The low cost of geological assessment for underground CO2 storage: Policy and economic implications

The costs for carbon dioxide (CO{sub 2}) capture and storage (CCS) in geologic formations is estimated to be $6-75/t CO{sub 2}. In the absence of a mandate to reduce greenhouse gas emissions or some other significant incentive for CCS deployment, this cost effectively limits CCS technology deployment to small niche markets and stymies the potential for further technological development through learning-by-doing until these disincentives for the free venting of CO{sub 2} are in place. By far, the largest current fraction of these costs is capture (including compression and dehydration), commonly estimated at $25-60/t CO{sub 2} for power plant applications followed by CO{sub 2} transport and storage, estimated at $0-15/t CO{sub 2}. Of the storage costs, only a small fraction of the cost will go to accurate geological characterization. These one-time costs are probably on the order of $0.1/t CO{sub 2} or less as these costs are spread out over the many millions of tons likely to be injected into a field over many decades. Geologic assessments include information central to capacity prediction, risk estimation for the target intervals, and development facilities engineering. Since assessment costs are roughly 2 orders of magnitude smaller than capture costs, and assessment products carry other …
Date: January 31, 2005
Creator: Friedmann, S J; Dooley, J; Held, H & Edenhofer, O
System: The UNT Digital Library
Applying Current Human Factors Engineering Guidance to Control Room Design (open access)

Applying Current Human Factors Engineering Guidance to Control Room Design

The Westinghouse Savannah River Company, a contractor to the Department of Energy, has compared Revisions 1 and 2 of NUREG-0700-Human System Interface Design Review Guideline, from the United States Nuclear Regulatory Commission Nuclear Regulatory Guide. The comparison has been made with respect to which guidelines remained the same, the guidelines that were reformatted or reworded, additional guidelines, and deleted guidelines. This comparison was made in preparation of revising the previously developed Human Factors Engineering Analysis Tool for automating the review, analysis, and evaluation of human system interface designs. This tool has been described at previous conferences on human factors and the merits and benefits of the tool described. The tool has been successfully applied to over eight facilities at WSRC. This paper describes the methodology and results of the comparison and the plans to enhance the already successful automation tool. The number of criteria in NUREG-0700 increased from approximately 1650 in Revision 1 to almost 2200 in Revision 2. Approximately 1600 criteria remained the same, though they were significantly reorganized; while about 100 were reworded or reformatted to clarify or expand the guidance provided. Around 600 guidelines were added and approximately 70 deleted. The majority of the changes and additions …
Date: January 31, 2005
Creator: Leo, Geary
System: The UNT Digital Library
Co-continuous Metal-Ceramic Nanocomposites (open access)

Co-continuous Metal-Ceramic Nanocomposites

A room temperature technique was developed to produce continuous metal nanowires embedded in random nanoporous ceramic skeletons. The synthesis involves preparation of uniform, nanoporous ceramic preforms, and subsequent electrochemical metal infiltration at room temperature, so to avoid materials incompatibilities frequently encountered in traditional high temperature liquid metal infiltration. Structure and preliminary evaluations of mechanical and electronic properties of copper/alumina nanocomposites are reported.
Date: January 31, 2005
Creator: Zhang, Xiao Feng; Harley, Gabriel & De Jonghe, Lutgard C.
System: The UNT Digital Library
Steady-State Diffusion of Water through Soft-Contact LensMaterials (open access)

Steady-State Diffusion of Water through Soft-Contact LensMaterials

Water transport through soft contact lenses (SCL) is important for acceptable performance on the human eye. Chemical-potential gradient-driven diffusion rates of water through soft-contact-lens materials are measured with an evaporation-cell technique. Water is evaporated from the bottom surface of a lens membrane by impinging air at controlled flow rate and humidity. The resulting weight loss of a water reservoir covering the top surface of the contact-lens material is recorded as a function of time. New results are reported for a conventional hydrogel material (SofLens{trademark} One Day, hilafilcon A, water content at saturation W{sub 10} = 70 weight %) and a silicone hydrogel material (PureVision{trademark}, balafilcon A, W{sub 10} = 36 %), with and without surface oxygen plasma treatment. Also, previously reported data for a conventional HEMA-SCL (W{sub 10} = 38 %) hydrogel are reexamined and compared with those for SofLens{trademark} One Day and PureVision{trademark} hydrogels. Measured steady-state water fluxes are largest for SofLens{trademark} One Day, followed by PureVision{trademark} and HEMA. In some cases, the measured steady-state water fluxes increase with rising relative air humidity. This increase, due to an apparent mass-transfer resistance at the surface (trapping skinning), is associated with formation of a glassy skin at the air/membrane interface when …
Date: January 31, 2005
Creator: Fornasiero, Francesco; Krull, Florian; Radke, Clayton J. & Prausnitz, JohnM.
System: The UNT Digital Library
Experimental Mathemataics: Examples, Methods andImplications (open access)

Experimental Mathemataics: Examples, Methods andImplications

Recent years have seen the flowering of ''experimental'' mathematics, namely the utilization of modern computer technology as an active tool in mathematical research. This development is not limited to a handful of researchers, nor to a handful of universities, nor is it limited to one particular field of mathematics. Instead, it involves hundreds of individuals, at many different institutions, who have turned to the remarkable new computational tools now available to assist in their research, whether it be in number theory, algebra, analysis, geometry or even topology. These tools are being used to work out specific examples, generate plots, perform various algebraic and calculus manipulations, test conjectures, and explore routes to formal proof. Using computer tools to test conjectures is by itself a major time saver for mathematicians, as it permits them to quickly rule out false notions.
Date: January 31, 2005
Creator: Bailey, David H. & Borwein, Jonathan M.
System: The UNT Digital Library
Platinum nitride with fluorite structure (open access)

Platinum nitride with fluorite structure

The mechanical stability of platinum nitride has been studied using first-principles calculations. By calculating the single-crystal elastic constants, we show that platinum nitride can be stabilized in the fluorite structure, in which the nitrogen atoms occupy all the tetrahedral interstitial sites of the metal lattice. The stability is attributed to the pseudogap effect from analysis of the electronic structure.
Date: January 31, 2005
Creator: Yu, Rong & Zhang, Xiao-Feng
System: The UNT Digital Library
Modeling and simulation of DNA flow in a microfluidic-based pathogen detection system (open access)

Modeling and simulation of DNA flow in a microfluidic-based pathogen detection system

We present simulation results from a new computational model of DNA flow in microfluidic devices. This work is important because computational models are needed to design miniaturized biomedical devices that are becoming the state-of-the-art in many significant applications including pathogen detection as well as continuous monitoring and drug delivery. Currently advanced algorithms in design tools are non-existent but necessary to understand the complex fluid and polymer dynamics involved in biological flow at small scales. Our model is based on a fully coupled fluid-particle numerical algorithm with both stochastic and deterministic components in a bead-rod polymer representation. We have applied this work to DNA extraction configurations in a microfluidic PCR chamber used in a pathogen detection system. We demonstrate our method on the test problem of flow of a single DNA molecule in a 2D packed array microchannel. We are also investigating mechanisms for molecular ''sticking'' using short range forces.
Date: January 31, 2005
Creator: Trebotich, D & Miller, G H
System: The UNT Digital Library