SEARCH · Search NASA

Results for “transfer process”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,657 records · Page 92

All sources NASA NTRS DOE OSTI

DOE OSTI2015

Interfacial Behavior of Polymers: Using Interfaces to Manipulate Polymers

The self-assembly of block copolymers into arrays of nanoscopic domains with areal densities approaching 10 terbit/in2 offer tremendous promise for the fabrication of ultrahigh density storage devices, batteries and other energy relevant devices. Interfacial interactions play a key role in dictating the orientation and ordering of these self-assembling materials. We have investigated the use of preferential and neutral solvents to overcome interfacial interactions and to rapid accelerate the dynamics of these materials, since the high molecular weight of the polymers significantly slows diffusion processes. Using a tailor-made chamber, we have introduced solvent vapor annealing (SVA) where solvent with a well-defined vapor pressures sells the copolymer film, enabling control over the solvent content in the film and, therefore, the thermodynamics governing the microphase separation of the copolymer, the interactions with the substrate and air interfaces and the dynamics. This tailor-made chamber also allows us to perform in situ grazing incidence x-ray scattering studies where the copolymer films can be characterized on the nanoscopic level over macroscopic distances. The methodologies developed in our laboratories are now used in numerous laboratories world-wide. We have found that arrays of block copolymer microdomains with perfect orientational order can be achieved over macroscopic areas using the SVA processes but the translational order is perturbed during the film drying process. As the copolymer film is swollen, the confinement of the film to the substrate introduces a frustration to the ordering of the microdomains. After equilibrium is achieved, when the swollen films are brought very close to the ordering transition, near perfect ordering is achieved. However, upon removal of the solvent, the confinement of the film to the substrate introduces translational disorder. We have investigated the influence of the rate of solvent removal and have found that most rapid solvent removal process drives the copolymer film to below its glass transition temperature, freezing in the lateral order. We have quantitatively described the ordering and the parameters influencing the disruption of the ordering in these studies. We have also used e-beam lithography to generate shallow trench patterns on planar surface where the topographic patterning provides an additional constraint on the self-assembly of the block copolymer. The pitches of the trenches were varied while the depth and the trench width of patterns were maintained by constant at 89 and 30nm, respectively. Unidirectional PS-b-PEO line patterns over large area on the shallow trench patterns were obtained by solvent vapor annealing. We extended the solvent annealing process to an in-line coating process using a mini-slot die coater developed in our laboratories. This coater uses minimal materials with operating parameters that can mimic actual industrial processing on a roll-to-roll line. Most important, with this mini-slot die coater, it could also characterize the structure of the film using grazing incidence x-ray scattering. Using the fundamental characterization of the ordering of the block copolymers, we could optimize the coating conditions to enhance lateral ordering of block copolymer in a well-defined manner. The structures produced in this process are directly transferable to flexible electronics where the arrays of block copolymer microdomains can be used for the fabrication of nanostructured components. We have also controlled the orientation of BCP microdomains at the air and substrate interfaces by manipulating the interfacial interactions with selective solvents. This has enabled us to generate nanoporous membranes where the size of the pores is dictated by the size of the bloc copolymer microdomains. We have produced robust nanoporous membranes that can tolerate high pressures and have high throughput using thick films of block copolymers. Exceptional size selectivity has been achieved. The membranes are tolerant against acid and base washing and can be prepared over large areas. These membranes are finding applications in a water-purification and separations processes.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Investigation of structural and electrochemical properties of LaSrCo{sub 1−x}Sb{sub x}O{sub 4} (0≤x≤0.20) as potential cathode materials in intermediate-temperature solid oxide fuel cells

The structural and electrochemical properties of the layered perovskite oxides LaSrCo{sub 1−x}Sb{sub x}O{sub 4} (0≤x≤0.20) were investigated to study the effects of substituting Sb for Co for application as cathode materials in intermediate temperature solid oxide fuel cells (IT-SOFCs). The results of crystal structure analyses show the maximum content of Sb in LaSrCo{sub 1−x}Sb{sub x}O{sub 4} to be 0.05 as a pure single phase. XPS shows that Co and Sb in LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} may possess mixed-oxidation states. The electrical conductivity increased greatly after Sb substitution. An improvement in the cathode polarization (R{sub p}) values is observed from the Sb-doped sample with respect to the undoped samples. For example, R{sub p} of LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} on LSGM was observed to be 0.16 Ω cm{sup 2} at 800 °C in air. The main rate-limiting step for LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} cathode is charge transfer of oxygen atoms. These results indicate that Sb can be incorporated into LaSrCo{sub 1−x}Sb{sub x}O{sub 4} based materials and can have a beneficial effect on the performance, making them potentially suitable for use as cathode materials in IT-SOFCs. - Graphical abstract: The oxygen partial pressure dependence of polarization resistances for a new layered perovskite cathode LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} at various temperatures was measured. - Highlights: • The maximum content of Sb was 0.05 mol in LaSrCo{sub 1−x}Sb{sub x}O{sub 4}. • The maximum electrical conductivity is 194 S cm{sup −1}for LaSrCo{sub 0.95}Sb{sub 0.05}O{sub 4} at 800 °C. • A rate-limiting process of charge transfer presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Determination of heat conductivity of waste glass feed and its applicability for modeling the batch-to-glass conversion

The heat conductivity of reacting melter feed affects the heat transfer and conversion process in the cold cap (the reacting feed floating on molten glass). To investigate it, we simulated the feed conditions and morphology in the cold-cap by preparing “fast-dried slurry blocks”, formed by rapidly evaporating water from feed slurry poured onto a 200°C surface. A heat conductivity meter was used to measure heat conductivity of samples cut from the fast-dried slurry blocks, samples of a cold cap retrieved from a laboratory-scale melter, and loose dry powder feed samples. Our study indicates that the heat conductivity of the feed in the cold cap is significantly higher than that of loose dry powder feed, resulting from the feed solidification during the water evaporation from the feed slurry. To assess the heat transfer at higher temperatures when feed turns into foam, we developed a theoretical model that predicts the foam heat conductivity based on morphology data from in-situ X-ray computed tomography. The implications for the mathematical modeling of the cold cap are discussed.

Hujova, Miroslava↗

NASA NTRS2005

High-Performance Polymers Having Low Melt Viscosities

High-performance polymers that have improved processing characteristics, and a method of making them, have been invented. One of the improved characteristics is low (relative to corresponding prior polymers) melt viscosities at given temperatures. This characteristic makes it possible to utilize such processes as resin-transfer molding and resin-film infusion and to perform autoclave processing at lower temperatures and/or pressures. Another improved characteristic is larger processing windows that is, longer times at low viscosities. Other improved characteristics include increased solubility of uncured polymer precursors that contain reactive groups, greater densities of cross-links in cured polymers, improved mechanical properties of the cured polymers, and greater resistance of the cured polymers to chemical attack. The invention is particularly applicable to poly(arylene ether)s [PAEs] and polyimides [PIs] that are useful as adhesives, matrices of composite materials, moldings, films, and coatings. PAEs and PIs synthesized according to the invention comprise mixtures of branched, linear, and star-shaped molecules. The monomers of these polymers can be capped with either reactive end groups to obtain thermosets or nonreactive end groups to obtain thermoplastics. The synthesis of a polymeric mixture according to the invention involves the use of a small amount of a trifunctional monomer. In the case of a PAE, the trifunctional monomer is a trihydroxy- containing compound for example, 1,3,5-trihydroxybenzene (THB). In the case of a PI, the trifunctional monomer is a triamine for example, triamino pyrimidine or melamine. In addition to the aforementioned trifunctional monomer, one uses the difunctional monomers of the conventional formulation of the polymer in question (see figure). In cases of nonreactive end caps, the polymeric mixtures of the invention have melt viscosities and melting temperatures lower than those of the corresponding linear polymers of equal molecular weights. The lower melting temperatures and melt viscosities provide larger processing windows. In cases of reactive end caps, the polymeric mixtures of the invention have lower melt viscosities before curing and the higher cross-link densities after curing (where branching in the uncured systems would become cross-links in the cured systems), relative to the corresponding linear polymers of equal molecular weights. The greater cross-link densities afford increased resistance to chemical attack and improved mechanical properties.

Jensen, Brian J.↗

DOE OSTI2015

Nuclear criticality safety of pipes networks containing uranium - 14437

In nuclear facilities, the transfer of fissile material in solution, gas or powder forms between process stages requires many transfer lines (called 'pipes' in this paper) which may be laid out into bundles or networks. In Nuclear Criticality Safety evaluations, it is usual to assimilate such networks as a unique cylinder which area bounds the sum of the surface of pipes making up the network. However, even if this geometric simplification appears intuitively safe, it is not conservative in all cases. The aim of this paper is therefore to explore the validity and limitations associated to the assessment of pipes networks by a unique cylinder. This paper presents the impact on the k{sub eff} value of a detailed modeling of a pipes network compared to a unique cylinder. Variables of interest considered in such calculations are pipes diameter, composition, pitches and layout. Fissile media taken into account are uranium systems enriched from 5 % to 93.5 % in {sup 235}U. Then, the impact on reactivity of pipes material, such as stainless steel or plastic, is discussed and the minimal or maximal safe thickness of material has been determined. Finally, this paper provides guidance on the nuclear criticality safety assessment of pipes networks for uranium systems. (authors)

42 ENGINEERING↗

DOE OSTI2016

Technology Development in Support of Accelerating the Waste Treatment Mission - 16409

The feed for vitrification to produce a nuclear waste glass is a mixture of waste with glass-forming and modifying additives that is charged onto the cold cap that covers 90-95% of the melt surface. The cold cap consists of a layer of reacting molten glass floating on the surface of the melt in an all-electric, continuous glass melter. As the feed moves through the cold cap, it undergoes chemical reactions and phase transitions through which it is converted to molten glass that moves from the cold cap into the melt pool. Multiple overlapping reactions occur within the cold cap. The process involves a series of reactions that generate multiple gases and subsequent mass loss and foaming significantly influence the mass and heat transfers. The rate of glass melting, is greatly influenced by mass and heat transfers, affects the vitrification process and the efficiency of the immobilization of nuclear waste. Therefore, understanding the cold-cap reactions over the temperature range of the conversion process is critical. It also helps to formulate melter feeds for higher production rate, initiation of crystal forming reactions, and chemical reactions that determine the ultimate fate of technetium in the glass melt. Though the flowsheets at each of the two sites is vastly different development and insertion of mature technological chemical processes and mechanical components can have a significant impact on the duration of the treatment mission and hence the total costs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1998

Upper tropospheric water vapor: A field campaign of two Raman lidars, Airborne hygrometers, and Radiosondes

Water vapor in the atmosphere plays an important role in radiative transfer and the process of radiative balance so critical for understanding global change. It is the principal ingredient in cloud formation, one of the most difficult atmospheric processes to model, and the most variable component of the Earth-atmosphere albedo. And as a free molecule, it is the most active infrared absorber and emitter, thus, the most important greenhouse gas. The radiative impact of water vapor is important at all levels of the atmosphere. Even though moisture decreases by several orders-of-magnitude from the Earth's surface to the tropopause, recent research has shown that, from a radiative standpoint, a small percentage change in water vapor at any level is nearly equivalent. Therefore accurate and precise measurements of this important atmospheric constituent are needed at all levels to evaluate the full radiative impact. The need for improved measurements in the upper troposphere is particularly important because of the generally hostile (very dry and cold) conditions encountered. Because of the importance of water vapor to the understanding of radiative transfer, the Department of Energy's Atmospheric Radiation Measurements (ARM) program initiated a series of measurement campaigns at the Cloud And Radiation Testbed (CART) site in Oklahoma, especially focused on atmospheric water vapor. Three water vapor intensive observation period (water vapor IOP) campaigns were planned. Two of the water vapor IOP campaigns have been completed: the first IOP was held during the fall of 1996 with a focus on boundary layer water vapor measurements, and the second was conducted during the fall of 1997 with a focus on both boundary layer moisture e and moisture in the upper troposphere. This paper presents a review of the intercomparisons of water vapor measurements in the upper troposphere aquired during the second water vapor IOP. Data to be presented include water vapor measurements ements from: two Raman Lidars, the NASA Goddard Scanning Raman Lidar (SRL) and the CART Raman Lidar (CARL), a number of Vaisala radiosondes launched during the IOP campaign, and a dew point hygrometer flown on the University of North Dakota Cessna Citation Aircraft.

Melfi, S. Harvey↗

NASA NTRS1994

Collisional-Radiative Nonequilibrium and Precursor Effects in a Nitrogen Shock Wave

Improvements to a plasma code with a Collisional-Radiative (CR) non-equilibrium model are made, allowing for a more accurate description of the physical processes. The code allows for non-Boltzmann distributions of the electronic excited states by convecting separately each excited state, as a pseudo-specie. Each molecular state has also its own vibrational temperature, while a global rotational temperature is assumed. The free electron temperature is different from those of the excited states, and the electron heat conduction is also included. The CR model also uses a unique coupling between chemistry and vibrational energy (C-V coupling), which is fully coherent, and has the property of establishing thermal equilibrium as well as chemical equilibrium, on its own. We have also included a coupling between electronic excitations and vibrational energy (X-V coupling), which can have a strong influence on the vibrational temperature of some states. The recent improvements include the multi- temperature dependence of the chemical rates for associative ionization, as well as the estimation of the internal energies transferred during this process. Additionally, the distribution of energy into different translational modes (electron and heavy particles) is now correctly modeled. This provides a very rapid heating mechanism for the free electrons, since it is found that the electrons are generated with an average thermal energy of the same order as the heavy particle translational energy. This effect was observed by Gorelov et al in a recent paper, and lead to pronounced peaks in electron temperature immediately behind the shock. We will attempt ro reproduce this phenomenon. The last modification concerns the inclusion of the radiative terms into the calculations, thus enabling us to observe the effect of radiative losses and radiation transport. Preliminary tests have shown that the radiative losses are not negligible, i.e. the shock velocity drops when the radiative emission is included. In addition, we have observed some precursor excitation and ionization phenomena. These may be important at high shock velocities, and this will be investigated in detail. Precursor phenomena were also observed (in air) by Gorelov et al, and our results (for pure nitrogen) will be qualitatively compared with theirs.

Cambier, Jean-Luc↗

DOE OSTI2018

Electron-driven and thermal chemistry during water-assisted purification of platinum nanomaterials generated by electron beam induced deposition

Focused electron beam induced deposition (FEBID) is a versatile tool for the direct-write fabrication of nanostructures on surfaces. However, FEBID nanostructures are usually highly contaminated by carbon originating from the precursor used in the process. Recently, it was shown that platinum nanostructures produced by FEBID can be efficiently purified by electron irradiation in the presence of water. If such processes can be transferred to FEBID deposits produced from other carbon-containing precursors, a new general approach to the generation of pure metallic nanostructures could be implemented. Therefore this study aims to understand the chemical reactions that are fundamental to the water-assisted purification of platinum FEBID deposits generated from trimethyl(methylcyclopentadienyl)platinum(IV) (MeCpPtMe 3 ). The experiments performed under ultrahigh vacuum conditions apply a combination of different desorption experiments coupled with mass spectrometry to analyse reaction products. Electron-stimulated desorption monitors species that leave the surface during electron exposure while post-irradiation thermal desorption spectrometry reveals products that evolve during subsequent thermal treatment. In addition, desorption of volatile products was also observed when a deposit produced by electron exposure was subsequently brought into contact with water. The results distinguish between contributions of thermal chemistry, direct chemistry between water and the deposit, and electron-induced reactions that all contribute to the purification process. We discuss reaction kinetics for the main volatile products CO and CH 4 to obtain mechanistic information. The results provide novel insights into the chemistry that occurs during purification of FEBID nanostructures with implications also for the stability of the carbonaceous matrix of nanogranular FEBID materials under humid conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Spectroscopic Signature of Proton Location in Proton Bound HSO4-•H+•X- (X = F, Cl, Br, and I) Clusters

Proton transfer plays a vital role in a variety of chemical and biological processes. The proton location in proton bound clusters, specifically, in the anions of HSO4?•H+•X? (X = F, Cl, Br, and I), has been studied by negative ion photoelectron spectroscopy and ab initio theoretical calculations. The measured photoelectron spectra of HSO4?•H+•X? (X = Cl, Br, and I) closely resemble those of X? by simply shifting to higher electron binding energies, suggesting that X? is the chromophore of the electron photodetachment, a fact clearly violating gas-phase acidity predictions. However, in the X = F case, the spectrum of HSO4?•H+•F? is more similar to that of HSO4?, indicating that H+ stays with F? and the HSO4? moiety carries the extra electron. Accompanying theoretical analyses are in excellent agreement with the experimental measurements and observations. This work provides direct spectroscopic evidence of the proton locations, clearly showing cases in which proton affinities of the constituent bases cannot correctly predict the right chemistry involving proton transfer processes.

Hou, Gao-Lei↗

DOE OSTI2012

COMPUTATIONAL STUDY OF INTERSTELLAR GLYCINE FORMATION OCCURRING AT RADICAL SURFACES OF WATER-ICE DUST PARTICLES

Glycine is the simplest amino acid, and due to the significant astrobiological implications that suppose its detection, the search for it in the interstellar medium (ISM), meteorites, and comets is intensively investigated. In the present work, quantum mechanical calculations based on density functional theory have been used to model the glycine formation on water-ice clusters present in the ISM. The removal of either one H atom or one electron from the water-ice cluster has been considered to simulate the effect of photolytic radiation and of ionizing particles, respectively, which lead to the formation of OH{sup .} radical and H{sub 3}O{sup +} surface defects. The coupling of incoming CO molecules with the surface OH{sup .} radicals on the ice clusters yields the formation of the COOH{sup .} radicals via ZPE-corrected energy barriers and reaction energies of about 4-5 kcal mol{sup -1} and -22 kcal mol{sup -1}, respectively. The COOH{sup .} radicals couple with incoming NH=CH{sub 2} molecules (experimentally detected in the ISM) to form the NHCH{sub 2}COOH{sup .} radical glycine through energy barriers of 12 kcal mol{sup -1}, exceedingly high at ISM cryogenic temperatures. Nonetheless, when H{sub 3}O{sup +} is present, one proton may be barrierless transferred to NH=CH{sub 2} to give NH{sub 2}=CH{sub 2}{sup +}. This latter may react with the COOH{sup .} radical to give the NH{sub 2}CH{sub 2}COOH{sup +.} glycine radical cation which can then be transformed into the NH{sub 2}CHC(OH){sub 2}{sup +.} species (the most stable form of glycine in its radical cation state) or into the NH{sub 2}CHCOOH{sup .} neutral radical glycine. Estimated rate constants of these events suggest that they are kinetically feasible at temperatures of 100-200 K, which indicate that their occurrence may take place in hot molecular cores or in comets exposed to warmer regions of solar systems. Present results provide quantum chemical evidence that defects formed on water ices due to the harsh-physical conditions of the ISM may trigger reactions of cosmochemical interest. The relevance of surface H{sub 3}O{sup +} ions to facilitate chemical processes by proton transfer (i.e., acting as acidic catalysts) is highlighted, and plausible ways of their formation at the water-ice surface in the ISM are also discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2011

Energy budgets in collisionless magnetic reconnection: Ion heating and bulk acceleration

This paper investigates the energy transfer in the process of collisionless antiparallel magnetic reconnection. Using two-dimensional hybrid simulations, we measure the increase of the bulk and thermal kinetic energies and compare it to the loss of magnetic energy through a contour surrounding the ion decoupling region. It is shown, for both symmetric and asymmetric configurations, that the loss of magnetic energy is not equally partitioned between heating and acceleration. The heating is found to be dominant and the partition ratio depends on the asymptotic parameters, and future investigations will be needed to understand this dependence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1994

Dynamic Simulation of a Periodic 10 K Sorption Cryocooler

A transient thermal simulation model has been developed to simulate the dynamic performance of a multiple-stage 10 K sorption cryocooler for spacecraft sensor cooling applications that require periodic quick-cooldown (under 2 minutes) , negligible vibration, low power consumption, and long life (5 to 10 years). The model was specifically designed to represent the Brilliant Eyes Ten-Kelvin Sorption Cryocooler Experiment (BETSCE), but it can be adapted to represent other sorption cryocooler systems as well. The model simulates the heat transfer, mass transfer, and thermodynamic processes in the cryostat and the sorbent beds for the entire refrigeration cycle, and includes the transient effects of variable hydrogen supply pressures due to expansion and overflow of hydrogen during the cooldown operation. The paper describes model limitations and simplifying assumptions, with estimates of errors induced by them, and presents comparisons of performance predictions with ground experiments. An important benefit of the model is its ability to predict performance sensitivities to variations of key design and operational parameters. The insights thus obtained are expected to lead to higher efficiencies and lower weights for future designs.

cryocooler design performance sorption simulation ↗

DOE OSTI2013

Hanford Waste Transfer Planning and Control - 13465

Hanford tank waste cleanup requires efficient use of double-shell tank space to support single-shell tank retrievals and future waste feed delivery to the Waste Treatment and Immobilization Plant (WTP). Every waste transfer, including single-shell tank retrievals and evaporator campaign, is evaluated via the Waste Transfer Compatibility Program for compliance with safety basis, environmental compliance, operational limits and controls to enhance future waste treatment. Mixed radioactive and hazardous wastes are stored at the Hanford Site on an interim basis until they can be treated, as necessary, for final disposal. Implementation of the Tank Farms Waste Transfer Compatibility Program helps to ensure continued safe and prudent storage and handling of these wastes within the Tank Farms Facility. The Tank Farms Waste Transfer Compatibility Program is a Safety Management Program that is a formal process for evaluating waste transfers and chemical additions through the preparation of documented Waste Compatibility Assessments (WCA). The primary purpose of the program is to ensure that sufficient controls are in place to prevent the formation of incompatible mixtures as the result of waste transfer operations. The program defines a consistent means of evaluating compliance with certain administrative controls, safety, operational, regulatory, and programmatic criteria and specifies considerations necessary to assess waste transfers and chemical additions. Current operations are most limited by staying within compliance with the safety basis controls to prevent flammable gas build up in the tank headspace. The depth of solids, the depth of supernatant, the total waste depth and the waste temperature are monitored and controlled to stay within the Compatibility Program rules. Also, transfer planning includes a preliminary evaluation against the Compatibility Program to assure that operating plans will comply with the Waste Transfer Compatibility Program. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Enhancement of Er optical efficiency through bismuth sensitization in yttrium oxide

The process of energy transfer (ET) between optically active ions has been widely studied to improve the optical efficiency of a system for different applications, from lighting and photovoltaics to silicon microphotonics. In this work, we report the influence of Bi on the Er optical emission in erbium-yttrium oxide thin films synthesized by magnetron co-sputtering. We demonstrate that this host permits to well dissolve Er and Bi ions, avoiding their clustering, and thus to stabilize the optically active Er{sup 3+} and Bi{sup 3+} valence states. In addition, we establish the ET occurrence from Bi{sup 3+} to Er{sup 3+} by the observed Bi{sup 3+} PL emission decrease and the simultaneous Er{sup 3+} photoluminescence (PL) emission increase. This was further confirmed by the coincidence of the Er{sup 3+} and Bi{sup 3+} excitation bands, analyzed by PL excitation spectroscopy. By increasing the Bi content of two orders of magnitude inside the host, though the occurrence of Bi-Bi interactions becomes deleterious for Bi{sup 3+} optical efficiency, the ET process between Bi{sup 3+} and Er{sup 3+} is still prevalent. We estimate ET efficiency of 70% for the optimized Bi:Er ratio equal to 1:3. Moreover, we have demonstrated to enhance the Er{sup 3+} effective excitation cross section by more than three orders of magnitude with respect to the direct one, estimating a value of 5.3 × 10{sup −18} cm{sup 2}, similar to the expected Bi{sup 3+} excitation cross section. This value is one of the highest obtained for Er in Si compatible hosts. These results make this material very promising as an efficient emitter for Si-compatible photonics devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Multiphase Fluid Flow in Deformable Variable-Aperture Fractures (Final Report, February 1, 2009 – January 31, 2014)

Fractures provide flow paths that can potentially lead to fast migration of fluids or contaminants. A number of energy-related applications involve fluid injections that significantly perturb both the pressures and chemical composition of subsurface fluids. These perturbations can cause both mechanical deformation and chemical alteration of host rocks with potential for significant changes in permeability. In fractured rock subjected to coupled chemical and mechanical stresses, it can be difficult to predict the sign of permeability changes, let alone the magnitude. This project integrated experimental and computational studies to improve mechanistic understanding of these coupled processes and develop and test predictive models and monitoring techniques. The project involved three major components: (1) study of two-phase flow processes involving mass transfer between phases and dissolution of minerals along fracture surfaces (Detwiler et al., 2009; Detwiler, 2010); (2) study of fracture dissolution in fractures subjected to normal stresses using experimental techniques (Ameli, et al., 2013; Elkhoury et al., 2013; Elkhoury et al., 2014) and newly developed computational models (Ameli, et al., 2014); (3) evaluation of electrical resistivity tomography (ERT) as a method to detect and quantify gas leakage through a fractured caprock (Breen et al., 2012; Lochbuhler et al., 2014). The project provided support for one PhD student (Dr. Pasha Ameli; 2009-2013) and partially supported a post-doctoral scholar (Dr. Jean Elkhoury; 2010-2013). In addition, the project provided supplemental funding to support collaboration with Dr. Charles Carrigan at Lawrence Livermore National Laboratory in connection with (3) and supported one MS student (Stephen Breen; 2011-2013). Major results from each component of the project include the following: (1) Mineral dissolution in fractures occupied by two fluid phases (e.g., oil-water or water-CO 2 ) causes changes in local capillary forces and redistribution of fluids. These coupled processes enhance channel formation and the potential for development of fast flow paths through fractures. (2) Dissolution in fractures subjected to normal stress can result in behaviors ranging from development of dissolution channels and rapid permeability increases to fracture healing and significant permeability decreases. The timescales associated with advective transport of dissolved ions in the fracture, mineral dissolution rates, and diffusion within the adjacent porous matrix dictate the sign and magnitude of the resulting permeability changes. Furthermore, a high--resolution mechanistic model that couples elastic deformation of contacts and aperture-dependent dissolution rates predicts the range of observed behaviors reasonably well. (3) ERT has potential as a tool for monitoring gas leakage in deep formations. Using probabilistic inversion methods further enhances the results by providing uncertainty estimates of inverted parameters.

02 PETROLEUM↗

DOE OSTI2020

Time scales for nonlinear processes in preheating after multifield inflation with nonminimal couplings

We have conducted extensive lattice simulations to study the postinflation dynamics of multifield models involving nonminimal couplings. In this work, we explore the parameter dependence of preheating in these models and describe the various time scales that control such nonlinear processes as energy transfer, rescattering, and the approach to radiation domination and thermalization. In the limit of large nonminimal couplings ($ξ_I$ ~ 100), we find that efficient transfer of energy from the inflaton condensate to radiative degrees of freedom, emergence of a radiation-dominated equation of state, and the onset of thermalization each consistently occur within $N_{\text{reh}} ≲ 3 e$-folds after the end of inflation, largely independent of the values of the other couplings in the models. The exception is the case of negative ellipticity, in which there is a misalignment between the dominant direction in field space along which the system evolves and the larger of the nonminimal couplings $ξ_I$. In those cases, the field-space-driven parametric resonance is effectively shut off. More generally, the competition between the scalar fields’ potential and the field-space manifold structure can yield interesting phenomena such as two-stage resonances. Across many regions of parameter space, we find efficient re-scattering between the distinct fields, leading to a partial memory loss of the shape of the initial fluctuation spectrum. Despite the explosive particle production, which can lead to a quick depletion of the background energy density, the nonlinear processes do not induce any superhorizon correlations after the end of inflation in these models, which keeps predictions for cosmic microwave background observables unaffected by the late-time amplification of isocurvature fluctuations. Hence the excellent agreement between primordial observables and recent observations is preserved for this class of models, even when we consider postinflation dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2014

Uncertainty Quantification for Monte Carlo simulations - Paper 18

Uncertainty quantification (UQ) generally speaking refers to a wide variety of specific problems, also pertaining different scientific areas: then studies on Uncertainty Quantification involve many different methodologies, techniques and even terminologies: to be specific we are interested in studying how uncertainties on input physical data needed for Monte Carlo simulations transfer into uncertainties on the physical output of the simulation. We mention that other sources of uncertainty are be present in a simulation environment: they can be ascribed either to model inadequacy (for instance when one neglects atomic lattice at very low energies) or to the numerical procedure involved: for the case of MC simulation the latter corresponds to the statistical error affecting the simulation itself. So in general parameter uncertainties are mixed with other kind of uncertainties. The problem then remains seemingly quite complicated, even in this more specific domain: moreover we should better specify the meaning of the rather undetermined words physical data needed for Monte Carlo simulation. In fact they may refer both those data needed to specify the experimental setup that is going to be simulated - like, e.g., geometrical or composition data, but including also some external conditions applied to the system, like temperature, pressure, electromagnetic fields and so on - and physical data - cross sections or often physical models - required to describe particle transport. All these data are generally affected by uncertainties, which through the process of simulation transfer into uncertainty on its physical outcome. Then, from the MC user's own perspective, input data refers both to those that are under his direct experimental control and to many others, whose values and uncertainties will affect the result of the simulation. In this contribution we will summarize previous results, together with some new ones. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗