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At least 1,315 records · Page 73

Improvement of the photoluminescent intensity of ZnTa{sub 2}O{sub 6}:Pr{sup 3+} phosphor

Highlights: • The optimal luminescence intensity was obtained for 0.4 mol% Pr{sup 3+} doped ZnTa{sub 2}O{sub 6}. • The ZnTa{sub 2}O{sub 6}:Pr{sup 3+} has a colour index matching an ideal red emission. • The cross relaxation process led to a decrease in red emission at higher Pr{sup 3+} concentrations. • The blue emission continues to increase at higher Pr{sup 3+} concentrations. • The persistent luminescent increases with an increase in Pr{sup 3+} concentration. - Abstract: A red emitting ZnTa{sub 2}O{sub 6}:Pr{sup 3+} phosphor with Commission Internationale de l‘Eclairage coordinates that match those of an ideal red emission was prepared by solid state chemical reaction. X-ray diffraction confirmed that a pure orthorhombic phase of ZnTa{sub 2}O{sub 6} was crystallized. A homogeneous distribution of the Pr{sup 3+} ions was confirmed from the analysis of the time of flight secondary ion mass spectroscopy overlay images. In addition to the reflectance at 259 nm associated with band-to-band absorption, minor reflectance peaks associated with f-f transitions of Pr{sup 3+} were observed at 420–500 nm. The main red emission peak was split into minor peaks located at 608, 619 and 639 nm that were assigned to {sup 1}D{sub 2} ⟶ {sup 3}H{sub 4}, {sup 3}P{sub 0} ⟶ {sup 3}H{sub 6} and {sup 3}P{sub 0} ⟶ {sup 3}F{sub 2} transitions of Pr{sup 3+}, respectively. With increasing concentration of Pr{sup 3+}, a relatively weak blue emission was observed at 488 nm and this phenomenon maybe attributed to virtual charge transfer or/and inter cross relaxation effects. The decay characteristics of the persistent emission were also calculated.

36 MATERIALS SCIENCE↗

Using MCDA and GIS for hazardous waste landfill siting considering land scarcity for waste disposal

Highlights: • Wasting land for the siting of hazardous waste landfills must be avoided. • The siting procedure is based on a land use map of potentially suitable areas. • All the waste facilities of the management system are simultaneously considered. • A case study is developed considering two multi-criteria techniques. • An innovative criteria weighting tool (PSW) is used in combination with the AHP. - Abstract: The main aim of this study was to develop a procedure that minimizes the wasting of space for the siting of hazardous waste landfills as part of a solid waste management system. We wanted to tackle the shortage of land for waste disposal that is a serious and growing problem in most large urban regions. The procedure combines a multi-criteria decision analysis (MCDA) approach with a geographical information system (GIS). The GIS was utilised to obtain an initial screening in order to eliminate unsuitable areas, whereas the MCDA was developed to select the most suitable sites. The novelty of the proposed siting procedure is the introduction of a new screening phase before the macro-siting step aimed at producing a “land use map of potentially suitable areas” for the siting of solid waste facilities which simultaneously takes into consideration all plant types. The issue of obtaining sites evaluations of a specific facility was coupled with the issue of not wasting land appropriate to facilitate other types of waste management options. In the developed case study, the use of an innovative criteria weighting tool (the “Priority Scale”) in combination with the Analytic Hierarchy Process was useful to easier define the priorities of the evaluation criteria in comparison with other classic methods such as the Paired Comparison Technique in combination with the Simple Additive Weighting method.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Ultrafast Reactive Laser Sintering of Highly Conductive Garnet-Type LLZTO Solid Electrolytes

Rapid and scalable fabrication of garnet-type solid electrolytes remains a major challenge for the practical deployment of lithium metal batteries. Here, we report reactive laser sintering (RLS) as an ultrafast and potentially scalable strategy for fabricating garnet-type Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 (LLZTO) solid electrolytes. RLS of LLZTO enables simultaneous reaction and densification, achieving ∼95% relative density while minimizing lithium loss and suppressing secondary phase formation. Compared to conventional furnace sintering, RLS promotes enhanced grain growth and improved densification, leading to improved ionic conductivity (0.36 ± 0.08 mS cm −1 ) while maintaining comparable activation energies for Li + transport. Structural characterization by X-ray diffraction (XRD), Raman spectroscopy, and solid-state 6 Li/ 7 Li NMR confirms the formation of cubic garnet LLZTO with homogeneous microscale elemental distribution. In addition, nanoindentation measurements demonstrate that RLS preserves the mechanical properties of the garnet framework despite ultrafast localized thermal processing. By integrating simultaneous reaction and densification with tunable microstructural control, reactive laser sintering provides a promising manufacturing pathway for high-performance garnet solid electrolytes toward next-generation solid-state batteries.

CO2 laser↗

[18F]Tosyl fluoride as a versatile [18F]fluoride source for the preparation of 18F-labeled radiopharmaceuticals

Abstract Positron emission tomography (PET) is an in vivo imaging technology that utilizes positron-emitting radioisotope-labeled compounds as PET radiotracers that are commonly used in clinic and in various research areas, including oncology, cardiology, and neurology. Fluorine-18 is the most widely used PET-radionuclide and commonly produced by proton bombardment of 18 O-enriched water in a cyclotron. The [ 18 F]fluoride thus obtained generally requires processing by azeotropic drying in order to completely remove H 2 O before it can be used for nucleophilic radiofluorination. In general, the drying step is important in facilitating the radiofluorination reactions and the preparation of 18 F-labeled PET radiotracers. In this communication, we have demonstrated the feasibility of using [ 18 F]tosyl fluoride ([ 18 F]TsF) as a versatile [ 18 F]fluoride source for radiofluorination to bypass the azeotropic drying step, and we have developed a continuous flow solid-phase radiosynthesis strategy to generate [ 18 F]TsF in a form that is excellent for radiofluorination. [ 18 F]TsF shows high reactivity in radiofluorination and provides the features suitable for preparing PET radiotracers on a small scale and exploring novel radiolabeling technologies. Thus, using [ 18 F]TsF as a [ 18 F]fluoride source is a promising strategy that facilitates radiofluorination and provides a convenient and efficient solution for the preparation of 18 F-labeled radiopharmaceuticals that is well matched to the emerging trends in PET imaging technologies.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Spectro-Microscopic Analysis of Soot Particle Composition and Source Attribution

Ambient soot particles significantly impact Earth’s radiative balance, human health, and atmospheric visibility. Their microstructural properties depend on formation and aging mechanisms, which vary by emission source and atmospheric processes. Hence, accurately identifying sources of soot enhances our understanding of their physicochemical properties and atmospheric implications. This study used a multi-modal approach to characterize and attribute sources of submicron soot particles collected in Israel during new particle formation events, biomass burning episodes, and background atmospheric conditions. Synchrotron-based X-ray microscopy was used to map soot (elemental carbon), organic carbon, and inorganic species. Implemented atomic force microscopy showed highly diverse phase states, with soot consistently exhibiting a solid-like phase. Automated µ-Raman analysis was subsequently performed on ~690 particles, identifying three soot classes based on spectral features corresponding to the "Defect" (D) and "Graphite" (G) bands of soot. We applied two-peak and five-peak fitting approaches to deconvolute the “Defect” peaks (D1, D2, D3, and D4) and G band from average Raman, revealing varying degrees of graphitic order. The degree of graphitic order was determined from metrics such as the D3 peak area, often observed when soot was internally mixed with organic material. Raman spectral features, along with temporal variations in particle classes contributions, suggest that Particle Type 1 corresponds to traffic related soot and Particle Type 2 to less graphitic soot from biomass burning, while Particle Type 3 is associated with more heterogeneous particulate representative of soot-OC mixtures emitted during new particle formation and biomass burning episodes.

Rivera-Adorno, Felipe (ORCID:0000000273557999)↗

Quantum Dot Sensitized Solar Cells Based on Ternary Metal Oxide Nanowires

In Phase I of this project we investigate quantum dot sensitized solar cells (QDSSCs) based on ternary metal oxide nanowires and study the physical and chemical mechanisms that govern device operation. Our research has the following five objectives: (1) synthesis of ternary metal oxide nanowires, (2) synthesis of QDs and exploration of non-solution based QD deposition methods, (3) physical and electro-optical characterizations of fabricated solar devices, (4) device modeling and first-principle theoretical study of transport physics, and (5) investigation of long-term stability issues of QD sensitized solar cells. In Phase II of this project our first major research goal is to investigate magnetically doped quantum dots and related spin polarization effect, which could improve light absorption and suppress electron relaxation in the QDs. We will utilize both physical and chemical methods to synthesize these doped QDs. We will also study magnetically modified nanowires and introduce spin-polarized transport into QDSSCs, and inspect its impact on forward electron injection and back electron transfer processes. Our second goal is to study novel solid-state electrolytes for QDSSCs. Specifically, we will inspect a new type of polymer electrolytes based on a modified polysulfide redox couple, and examine the effect of their electrical properties on QDSSC performance. These solid-state electrolytes could also be used as filler materials for in situ sample fracturing in STM and enable cross-sectional interface examination of QD/nanowire structures. Our third research goal is to examine the interfacial properties such as energy level alignment at QD/nanowire interfaces using the newly developed Cross-sectional Scanning Tunneling Microscopy and Spectroscopy technique for non-cleavable materials. This technique allows a direct probing of band structures and alignment at device interfaces, which could generate important insight into the mechanisms that govern QDSSC operation. These investigations will be carried out through a close collaboration between our experimental and theoretical efforts in this project. This project initiates an important research direction in the jurisdiction of Wyoming. It brings together researchers from different academic disciplines including physics, chemistry, materials science, and engineering to work on one common scientific theme, and is a vital step towards the establishment of an nationally competitive research program in energy-related nanomaterials in the state of Wyoming.

14 SOLAR ENERGY↗

Spin-Coherent Transport under Strong Spin-Orbit Interaction (Final Technical Report)

The major goals of the project consisted of acquiring insight in spin-dependent quantum coherent electronic transport phenomena arising from spin-orbit interaction, via experiments on semiconductor heterostructures and thin film semimetals patterned into mesoscopic and nanoscale geometries. The solid-state physics findings contain insight potentially useful for the creation of new quantum states of matter, for spin operations in quantum information processing, for future spin electronics, and for other future functionalities of power-saving electronic devices. The subject was of fundamental interest, but was also of long-term applied interest for quantum devices, spintronics devices, and general electronic devices. The experiments were conducted by low-temperature electronic magnetotransport in nanoscale structures of length scales similar to the quantum phase- and spin-coherence lengths and the carrier mean-free paths in the materials. Emphasis was placed on quantum coherence and spin coherence, to understand coherent spin-dependent electronic processes, on transport of electrons with very long mean-free path (ballistic transport), on the transfer of electron spin to nuclear spin (dynamic nuclear spin polarization in bismuth), and on the study of materials with quantum states emerging from spin-orbit interaction and electron-electron interaction (bismuth iridates). In two-dimensional electron systems in quantum wells of the narrow-bandgap semiconductors InAs and InGaAs the objectives included the characterization of quantum states arising from the Aharonov-Casher quantum-mechanical phase as an electromagnetic dual of the Aharonov-Bohm phase. Objectives also included quantum electronic transport at the mesoscopic scale on the semimetal bismuth in thin film form, and particularly on its strongly spin-orbit coupled surface states. An almost-strain-free method was developed to grow high-quality bismuth thin films. Devices fabricated on these films were then used to study a novel nuclear spin torque, whereby the bismuth carrier spin was transferred to the bismuth nuclei by the agency of both spin-orbit interaction and hyperfine interaction. Aspects of ballistic transport were studied in GaAs/AlGaAs heterostructures of very high mobility, and a hitherto unsuspected similarity was discovered between ballistic transport and hydrodynamic transport, of potential use in future power-saving electronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A transport-based framework for solidification cracking in Ni-based superalloys processed by laser powder bed fusion

Solidification cracking remains a persistent barrier to laser powder bed fusion (LPBF) processing of solid-solution-strengthened (SSS) Ni-based superalloys and is commonly attributed to carbide formation, liquation-type failure, or elemental segregation. In this work, the cracking behavior of three SSS Ni-based superalloys—Inconel 625 (625), Inconel 617 (617), and Haynes 230 (230)—is examined under comparable LPBF conditions to evaluate the origins of their cracking susceptibility. Carbides were present in both 625 and 230, yet cracking behavior differed significantly. MC-type carbides in 625 remain discrete and preserve liquid connectivity, whereas Cr-rich M23C6 carbides in 230 form at cellular triple junctions that bottleneck the interdendritic liquid network, influencing cracking through liquid connectivity rather than as an independent cause. Alloy 617 exhibited anomalous segregation without resolvable secondary phases yet cracked mildly, indicating that extensive carbide formation is not a prerequisite for cracking. To rationalize these observations, a transport-limited framework is proposed in which cracking occurs when terminal-liquid feeding cannot accommodate solidification-induced strain; among the mechanisms evaluated, this framework is most consistent with the physical constraints imposed by LPBF solidification. Transport-based crack-susceptibility indexes incorporating permeability, viscosity, and solidification kinetics distinguish the alloy hierarchy; permeability ratios Krat increased from approximately 7 (625) to 11.5 (617) and 14.5 (230), with corresponding increases in the μ-weighted mushy zone risk index (CSIMZRM). These results are consistent with transport-limited liquid feeding as a rate-limiting contributor to solidification cracking in LPBF-processed SSS Ni-based superalloys, providing a physically grounded basis for alloy and process design.

Hyer, Holden [ORNL] (ORCID:0000000343915561)↗

Investigations into the Ternary NaF-KF-UF4 Salt System – Phase A

A knowledge gap exists in the data and understanding of fresh fuel salt and irradiated multicomponent fuel salt systems thermophysical properties. Quantifying these properties is necessary for the design and construction of test reactors, as well as the licensing of future commercial molten-salt reactors. To facilitate thermal property determination on a proposed fuel salt composition for Seaborg Technologies, several samples containing depleted uranium tetrafluoride (UF4), sodium fluoride (NaF), and potassium fluoride (KF) were blended, and a melt temperature analysis was performed. From the melting temperature analysis, it was determined that sample Seaborg-7, a ternary salt composition of 26.4UF4-24.7KF-48.9NaF (mol%), was very near a ternary eutectic point. Therefore, thermal properties such as melting temperature, salt stability, density, heat capacity, thermal diffusivity, and viscosity were experimentally determined on the Seaborg-7 salt. These measurements document the baseline properties of fresh fuel salt as a function of temperature, where future experiments on irradiated fuel salt will provide a holistic perspective on the change of thermophysical properties during reactor operations. Several precision instruments were used to collect property data, and instrument calibrations and data collection were performed and documented in a standardized and reproducible manner with meticulous detail. This process ensured that the measurement procedures and resulting data can readily be duplicated elsewhere. The Seaborg-7 salt was shown to be stable at temperatures up to 900°C, as no mass change was observed upon repeated heating and cooling. The peak melting temperature was determined to be 547°C (557°C endset). The enthalpy of fusion (??H?_fus^o) was determined to be 167.5 ± 2.7 J/g while the enthalpy of crystallization (??H?_c^o) was determined to be -147.8 ± 13.3 J/g. In addition to the eutectic melting peak, upon heating, several pre eutectic peaks were observed, occurring at 470°C (onset) and 499°C (peak). Specific heat capacity measurements showed a slightly increasing trend with respect to temperature in the solid phase, while the liquid-specific heat capacity showed a somewhat flat trend with an average value of 106.1 ± 1.24 J/mol·K between 600 to 800°C. Three independent trials using the Seaborg-7 salt determined the density to be ?(T) = 4.908 – 0.000363·T(°C), validated between 32 to 200°C, and ?(T) = 4.808 – 0.00113·T(°C), validated between ~575 to 850°C. Thermal diffusivity was determined for the liquid state and is represented by the linear equation y = 0.1581 + 0.000207·T(°C) between 550 to 850°C. The viscosity was determined from 600 to 800°C and is represented by the exponential fit equation, ? (mPa·s) = 736.58e^(-0.006·T(°C)). This report documents the conclusion of fuel salt thermophysical property measurements for the Seaborg SPP, Phase A project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Development of a Testbed for Pipeline Flushing - 19409

Pipelines which carry radioactive waste within the DOE complex should be properly flushed, particularly in the cases where stationary or moving beds of solid sediment occur, or lines are prone to hydrogen gas buildup. Present guidelines establish a minimum for the amount of water used for post-transfer flushing operations to achieve satisfactory cleaning of pipelines. However, further studies are needed to limit the amount of water used for flushing operations, thus minimizing the consequent downstream waste. These efforts are significantly helpful to DOE waste remediation sites by preserving tank storage, preventing additional waste processing, and minimizing dilution and changes in waste chemistry. An experimental pipe loop designed for study of non-Newtonian slurry flushing is currently being developed at the Florida International University (FIU). The testbed is designed to investigate parameters that effect the efficiency of flushing operations. The objective is to find flush velocity values/modes which lead to satisfactory cleaning of transport lines with a minimum amount of water usage. The developed methodologies will be streamlined according to the demands from both Hanford and Savannah River sites. A test matrix containing parameters such as pipeline length, flow rate, and simulant composition (solid concentration, rheology, particle size and density) has been developed. In the initial phase of testing, material composition and loop length will be fixed to a mixture of 17 wt% kaolin in water (to attain density, viscosity, and yield stress in the applicable range to operations at Savannah River and Hanford sites) and 165 feet, respectively. This matrix provides a parametric study on the flush velocity. Prescribed velocities in this test matrix comply with the maximum and minimum recommended flush velocity values by the flushing guidelines for Hanford waste (RPP-RPT-59600, Rev. 0, SRNL-STI-2015-00014, TFC-ENG-STD-26, REV C-1). Efforts will focus on creating repeatable sediment beds inside the pipeline in both fully-flooded and gravity-drained systems. Bed characterization (i.e., measurement of sediment height, solids concentration, and rheology) will be conducted to ensure consistency of initial conditions between tests. A combination of Pulse-Echo technique, Coriolis meter, and optical inspections will be used to accomplish initial bed characterization (ensuring consistency between tests), control/monitor density variations (initial bed creation, flush velocity control, and post-flush evaluations), and serve as reference (validation of PulseEcho and pipe surface cleanness evaluation), respectively. This paper will present the details of the development of the test loop and the test matrix. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Microstructure and properties of a high temperature Al–Ce–Mn alloy produced by additive manufacturing

An Al–10Ce-8Mn (wt%) alloy was designed and fabricated by laser powder bed fusion additive manufacturing (AM). The rapid cooling rates of the AM process produced a refined microstructure with a large fraction of reinforcing intermetallic phases. The tensile properties of the alloy were characterized in the as-fabricated state and following thermal exposure. The properties of the as-fabricated microstructure showed exceptional high-temperature performance and strength retention at elevated temperatures up to 400 °C relative to benchmark wrought Al and AM Al alloy properties. Characterization of the microstructure and thermodynamic modeling of the ternary Al–Ce–Mn system rationalized the solidification and solid-state phase transformations. Finally, analysis of the relevant strengthening mechanisms for both the as-fabricated and thermally exposed conditions was performed.

36 MATERIALS SCIENCE↗

Ceramic encapsulated metal phase change material for high temperature thermal energy storage

Thermal energy storage (TES) is a broad-based technology for reducing CO₂ emissions and advancing concentrating solar, fossil, and nuclear power through improvements in efficiency and economics. Phase change materials (PCMs) are of interest as TES media because of their ability to store large amounts of heat in relatively small volumes. The volume expansion during a phase change, typically between a solid and liquid, can cause breakage of protective coatings. This paper reports on the fabrication of a ceramic encapsulated metal (CEM) high temperature TES technology using a rotary calcining furnace and a fluidized bed chemical vapor deposition coating technique. Aluminum beads were chosen as the PCM because Al has a high melting point (660 °C), low cost, high heat of fusion, and an ability to form a thin, strong alumina layer capable of supporting the Al melt for subsequent processing. Quite remarkably, this study shows that 1 mm diameter Al can be fluidized up to at least 1500 °C in an appropriate atmosphere while maintaining a spheroid geometry. This allowed for producing a first of a kind CEM whereby Al particles were encapsulated in pyro-carbon (PyC) and high purity, dense chemical vapor deposited SiC. The CEM with a PyC only coating was exposed to thermal cycling to test the performance with a differential scanning calorimeter; the melting point and latent heat were measured to be 648.4 ± 2.8 °C and 293.3 ± 6.2 J/g respectively. It was demonstrated that the CEM design is possible to produce, laying the foundation for manufacturing of high temperature, tunable, TES media.

25 ENERGY STORAGE↗

Electrochemical Random-Access Memory: Progress, Perspectives, and Opportunities

Non-von Neumann computing using neuromorphic systems based on analogue synaptic and neuronal elements has emerged as a potential solution to tackle the growing need for more efficient data processing, but progress toward practical systems has been stymied due to a lack of materials and devices with the appropriate attributes. Recently, solid state electrochemical ion-insertion, also known as electrochemical random access memory (ECRAM) has emerged as a promising approach to realize the needed device characteristics. ECRAM is a three terminal device that operates by tuning electronic conductance in functional materials through solid-state electrochemical redox reactions. This mechanism can be considered as a gate-controlled bulk modulation of dopants and/or phases in the channel. Early work demonstrating that ECRAM can achieve nearly ideal analogue synaptic characteristics has sparked tremendous interest in this approach. More recently, the realization that electrochemical ion insertion can be used to tune the electronic properties of many types of materials including transition metal oxides, layered two-dimensional materials, organic and coordination polymers, and that the changes in conductance can span orders of magnitude has further attracted interest in ECRAM as the basis for analogue synaptic elements for inference accelerators as well as for dynamical devices that can emulate a wide range of neuronal characteristics for implementation in analogue spiking neural networks. At its core, ECRAM shares many fundamental aspects with rechargeable batteries, where ion insertion materials are used extensively for their ability to reversibly store charge and energy. Computing applications, however, present drastically different requirements: systems will require many millions of devices, scaled down to tens of nanometers, all while achieving reliable electronic-state tuning at scaled-up rates and endurances, and with minimal energy dissipation and noise. Further, in this review, we discuss the history, basic concepts, recent progress, as well as the challenges and opportunities for different types of ECRAM, broadly grouped by their primary mobile ionic charge carrier, including Li, protons, and oxygen vacancies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In situ observation of shear-driven amorphization in silicon crystals

Amorphous materials have attracted great interest in the scientific and technological fields. An amorphous solid usually forms under the externally driven conditions of melt-quenching, irradiation and severe mechanical deformation. However, its dynamic formation process remains elusive. Here we report the in situ atomic-scale observation of dynamic amorphization processes during mechanical straining of nanoscale silicon crystals by high resolution transmission electron microscopy (HRTEM). We observe the shear-driven amorphization (SDA) occurring in a dominant shear band. The SDA involves a sequence of processes starting with the shear-induced diamond-cubic to diamond-hexagonal phase transition that is followed by dislocation nucleation and accumulation in the newly formed phase, leading to the formation of amorphous silicon. The SDA formation through diamond-hexagonal phase is rationalized by its structural conformity with the order in the paracrystalline amorphous silicon, which maybe widely applied to diamond-cubic materials. Besides, the activation of SDA is orientation-dependent through the competition between full dislocation nucleation and partial gliding.

Amorphization↗

Numerical modeling of solid-cluster evolution applied to the nanosecond solidification of water near the metastable limit

Classical nucleation theory (CNT) is a promising way to predictively model the submicrosecond kinetics of phase transitions that occur under dynamic compression, such as the suite of experiments performed over the past two decades on the solidification of liquid water to the high-pressure ice VII phase. Myint et al. [Phys. Rev. Lett. 121, 155701 (2018)] presented the first CNT-based model for these types of rapid phase transitions, but relied on an empirical scaling parameter in their transient induction model to simulate the lag time that occurs prior to the onset of significant formation of ice VII clusters in the system. To build on that study, we model the liquid water–ice VII phase transformation using a numerical discretization scheme to solve the Zel’dovich–Frenkel partial differential equation, which is a fundamental CNT-based kinetic equation that describes the statistical time-dependent behavior of solid cluster formation. The Zel’dovich–Frenkel equation inherently accounts for transience in the nucleation kinetics and eliminates the need for the empirical scaling factor used by Myint et al. One major result of this research is that transience is found to play a relatively small role in the nucleation process for the dynamic-compression time scales of the liquid water–ice VII experiments being simulated. Instead, we show that it is possible to properly model the lag time using steady-state CNT by making small refinements to the interfacial free energy value. In conclusion, we have also developed a new dimensionless parameter that may be applied a priori to predict whether or not transient nucleation will be important in a given dynamic-compression experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Further Heat Treatment Optimizations for Nb3Sn Conductors: From Wires to Cables

© 2002-2011 IEEE. Accelerator magnets made with Nb3Sn superconducting coils are currently the most viable candidate technology for increasing the luminosity and energy of particle accelerators like the LHC. Today, the most developed Nb3Sn wire technology is the restacked rod process (RRP) wire manufactured by Bruker. RRP wires normally undergo a reaction heat treatment after coil winding which consists of three stages, one at 210 °C, one at 400 °C, and one at ~660 °C spending roughly 48 h at each stage. The last stage of this heat treatment activates the solid-state diffusion which forms the Nb3Sn, whereas the first two stages have been historically used to 'mix' the Cu and Sn in order to avoid liquefaction of the low melting temperature phases. Recently, the second stage was studied and optimized to improve critical current density in RRP wires by controlling the kinetics triggered when the Cu-Nb-Sn ternary phase ('Nausite') forms; the first stage however, has a negligible impact on the critical current density of RRP wires, and instead focuses on reducing the probability of Sn leaking from the wires. These instances of Sn leaks are often referred to as 'Sn bursts.' In this paper, we explore Sn bursting on Rutherford cables made with RRP wires in an attempt to better understand the threat of Sn bursts for future accelerator magnets using modern RRP wires. It was found that the Sn burst prevention mechanism, facilitated by the 210 °C stage, can be achieved in a fraction of the time, and that the modern RRP wires are less likely to observe Sn bursting. This new knowledge has enabled us to further understand and optimize the heat treatment of RRP wires for future accelerator magnets.

Sanabria, Charlie↗

User's Guide for Hysteretic Capillary Pressure and Relative Permeability Functions in TOUGH2

This document provides a user’s guide for the most recent version of the hysteretic code, which runs within iTOUGH2 (Finsterle, 1999a,b,c) or TOUGH2 V2.1 (Pruess et al., 2012). The usage of the hysteretic module is the same in both codes, which for brevity here are both referred to simply as TOUGH2. The current code differs only slightly from what was presented in Doughty (2007), hence that document provides the basic information on the processes being modeled and how they are conceptualized. This document focuses on a description of the user-specified parameters required to run hysteretic TOUGH2. In the few instances where the conceptualization differs from that of Doughty (2007), the features described here are the current ones. Sample problems presented in this user’s guide use the equation-of-state module ECO2N (Pruess, 2005). The components present in ECO2N are H{sub 2}O, NaCl, and CO{sub 2}. Two fluid phases and one solid phase are considered: an aqueous phase, which primarily consists of liquid H{sub 2}O and may contain dissolved NaCl and CO{sub 2}; a supercritical phase which primarily consists of CO{sub 2}, but also includes a small amount of gaseous H{sub 2}O; and a solid phase consisting of precipitated NaCl. Details of the ECO2N formulation may be found in Pruess (2005). The aqueous phase is the wetting phase and is denoted ‘liquid’, whereas the supercritical phase is the non-wetting phase and is denoted ‘gas’. The hysteretic formalism may be applied to other TOUGH2 equation-of-state modules that consider two fluid phases, as long as the liquid phase is the wetting phase and the gas phase is the non-wetting phase.

54 ENVIRONMENTAL SCIENCES↗

Computational studies of physical properties of Nb-Si based alloys

The overall goal is to provide physical properties data supplementing experiments for thermodynamic modeling and other simulations such as phase filed simulation for microstructure and continuum simulations for mechanical properties. These predictive computational modeling and simulations may yield insights that can be used to guide materials design, processing, and manufacture. Ultimately, they may lead to usable Nb-Si based alloy which could play an important role in current plight towards greener energy. The main objectives of the proposed projects are: (1) developing a first principles method based supercell approach for calculating thermodynamic and mechanic properties of ordered crystals and disordered lattices including solid solution; (2) application of the supercell approach to Nb-Si base alloy to compute physical properties data that can be used for thermodynamic modeling and other simulations to guide the optimal design of Nb-Si based alloy.

36 MATERIALS SCIENCE↗