SEARCH · Search NASA

Results for “conditional”

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 487 records · Page 27

All sources NASA NTRS DOE OSTI

DOE OSTI2019

Effect of MgCl{sub 2} on the Corrosion Behavior of Copper Under Periodic Wet/Dry Cycle Condition

The corrosion behaviors of copper under periodic wet/dry cycle conditions were investigated. The characteristics of the corrosion product formed on copper were analyzed by x-ray diffraction, scanning electron microscopy, energy-dispersive spectroscopy, and in situ electrochemical impedance spectroscopy. Weight loss results showed that the corrosion of copper under an MgCl{sub 2} deposition condition was more severe than that under NaCl. The main corrosion products formed on the tested sample under NaCl deposition condition consisted of Cu{sub 2}Cl(OH){sub 3} and Cu{sub 2}O, while those under the MgCl{sub 2} deposition condition consisted of Cu{sub 2}Cl(OH){sub 3} and Mg{sub 2}(OH){sub 3}Cl·4H{sub 2}O. In the case of the NaCl deposition condition, a two-layered structure formed during the corrosion process. However, the corrosion product layer formed on copper under the MgCl{sub 2} deposition condition had an extremely loose structure. The effect of MgCl{sub 2} on the corrosion mechanism of copper is discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Multiphysics analysis of fuel Fragmentation, Relocation, and dispersal Susceptibility–Part 2: High-Burnup Steady-State operating and fuel performance conditions

The US nuclear industry is pursuing increased cycle lengths and increasing the peak rod-averaged burnup in an effort to increase the economic viability of the US nuclear fleet. Increasing burnup will afford economic viability by enabling utilities to optimize core designs to reduce the number of fresh fuel assemblies per cycle and allow nuclear power plants to operate for a longer period of time. Longer operating periods will also decrease the number of outages experienced by a nuclear power plants and, therefore, offer utilities significant operational savings. However, extending the peak rod-averaged burnup beyond 62 GWd/tU results in operating fuel rods to higher burnup under higher power conditions. This operating regime is expected to result in higher fuel temperatures, fission gas release (FGR), and rod internal pressures (RIPs) that may challenge historical safety basis and affect high-burnup (HBU) experimental testing. In particular, these conditions directly affect fuel fragmentation, relocation, and dispersal (FFRD) susceptibility, so understanding the pretransient operating conditions is critical for developing test plans that evaluate the FFRD and develop strategies to mitigate it. This paper evaluates the operating conditions and fuel performance of HBU (greater than62 GWd/tU rod average) fuel. Additionally, it investigates fuel performance sensitivities and discusses the effect on fuel performance. Here, this work used two codes. Virtual Environment for Reactor Applications (VERA) was used to calculate steady-state power histories, identify HBU operating conditions using 10 different realistic HBU core designs, and down-select rods to a representative subset of fuel rods for subsequent BISON evaluation. The BISON fuel performance code was used to investigate steady-state HBU operating conditions and assess uncertainties associated with FGR and its effect on fuel temperatures and RIPs. The VERA and BISON results will provide direct input for HBU experimental testing and support subsequent TRACE and BISON transient fuel performance analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

Bouncing theory in the modified Weyl gravity and its stability conditions

Highlights: •The standard Weyl gravity model is investigated. •The stability conditions of the standard Weyl gravity model are considered. •In the spatially flat Friedmann–Robertson–Walker (FRW) universe, according to the Holographic Dark Energy (HDE) model, the accelerated expansion of the universe is considered. •The suitable conditions of a successful bounce are obtained. -- Abstract: In this paper, we demonstrate the analytical functions of a chameleon scalar field adjust the stability conditions of the standard Weyl gravity model. The suitable conditions of a successful bounce are obtained when the equation of state (EoS) parameter, crosses over the phantom divider. The accelerated expansion of the universe is considered by using the conditions and coordinates of a Friedmann–Robertson–Walker (FRW) universe and the Holographic Dark Energy (HDE) model. The stability conditions of the resulting model are then considered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Energetic basis on interactions between ferredoxin and ferredoxin NADP{sup +} reductase at varying physiological conditions

In spite of a number of studies to characterize ferredoxin (Fd):ferredoxin NADP{sup +} reductase (FNR) interactions at limited conditions, detailed energetic investigation on how these proteins interact under near physiological conditions and its linkage to FNR activity are still lacking. We herein performed systematic Fd:FNR binding thermodynamics using isothermal titration calorimetry (ITC) at distinct pH (6.0 and 8.0), NaCl concentrations (0–200 mM), and temperatures (19–28 °C) for mimicking physiological conditions in chloroplasts. Energetically unfavorable endothermic enthalpy changes were accompanied by Fd:FNR complexation at all conditions. This energetic cost was compensated by favorable entropy changes, balanced by conformational and hydrational entropy. Increases in the NaCl concentration and pH weakened interprotein affinity due to the less contribution of favorable entropy change regardless of energetic gains from enthalpy changes, suggesting that entropy drove complexation and modulated affinity. Effects of temperature on binding thermodynamics were much smaller than those of pH and NaCl. NaCl concentration and pH-dependent enthalpy and heat capacity changes provided clues for distinct binding modes. Moreover, decreases in the enthalpy level in the Hammond's postulate-based energy landscape implicated kinetic advantages for FNR activity. All these energetic interplays were comprehensively demonstrated by the driving force plot with the enthalpy-entropy compensation which may serve as an energetic buffer against outer stresses. We propose that high affinity at pH 6.0 may be beneficial for protection from proteolysis of Fd and FNR in rest states, and moderate affinity at pH 8.0 and proper NaCl concentrations with smaller endothermic enthalpy changes may contribute to increase FNR activity. - Highlights: • Energetics of Fd:FNR binding were examined by considering physiological conditions. • NaCl and pH affect energetically Fd:FNR binding with minimal effects of temperature. • Enthalpy and heat capacity may modulate binding kinetics and modes for FNR activity. • Entropy drives complexation by overcoming unfavorable enthalpy and tunes affinity. • Driving force plot reveals condition-dependent energetic interplays for complexation.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Drastic stability change of X-X mismatch in d(CXG) trinucleotide repeat disorders under molecular crowding condition

Highlights: • The stabilities of X-X mismatches were T-T ≥ G-G > A-A ≥ C-C under crowding conditions. • The stability of C-C mismatch was less affected by crowding conditions. • Our study might improve our understanding of trinucleotide repeat diseases. The trinucleotide repeat d(CXG) (X = A, C, G or T) is the most common sequence causing repeat expansion disorders. The formation of non-canonical structures, such as hairpin structures with X-X mismatches, has been proposed to affect gene expression and regulation, which are important in pathological studies of these devastating neurological diseases. However, little information is available regarding the thermodynamics of the repeat sequence under crowded cellular conditions where many non-canonical structures such as G-quadruplexes are highly stabilized, while duplexes are destabilised. In this study, we investigated the different stabilities of X-X mismatches in the context of internal d(CXG) self-complementary sequences in an environment with a high concentration of cosolutes to mimic the crowding conditions in cells. The stabilities of full-matched duplexes and duplexes with A-A, G-G, and T-T mismatched base pairs under molecular crowding conditions were notably decreased compared to under dilute conditions. However, the stability of the DNA duplex with a C-C mismatch base pair was only slightly destabilised. Investigating different stabilities of X-X mismatches in d(CXG) sequences is important for improving our understanding of the formation and transition of multiple non-canonical structures in trinucleotide repeat diseases, and may provide insights for pathological studies and drug development.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Conditionally reprogrammed human normal bronchial epithelial cells express comparable levels of cytochromes p450 and are sensitive to BaP induction

Highlights: • Conditionally reprogrammed human normal bronchial epithelial cells can be propagated for a long term in vitro. • Conditionally reprogrammed human normal bronchial epithelial cells maintain normal karyotype and differentiation potential. • Conditionally reprogrammed human normal bronchial epithelial cells express comparable levels of Cytochromes p450 enzymes. • Conditionally reprogrammed human normal bronchial epithelial cells are sensitive to BaP induction. Cytochromes p450 (CYPs) metabolize thousands of endogenous and exogenous chemicals, including toxic compounds and drugs. The primary cells have relative short life span and are not able to sustain levels of metabolic enzymes CYPs expression and activity long enough in vitro. The immortalized cell lines are also not ideal for toxicity testing because of their low levels of CYPs expression. In this study, we established human normal bronchial epithelial cells using conditional reprogramming (CR) technique from three human donors (named as CR-HNBE1-3). These CR cells can proliferate continuously in defined culture system over 50 PDs within 2 months. The CR-HNBE cells exhibited the normal diploid karyotype, normal response to DNA damage and normal differentiation potential under the matrigel 3D culture condition. The CR-HNBE cells express the basal epithelial marker cytokeratin 14 (CK14) and epithelial secretory marker Mucin 5AC. Most importantly, CR-HNBE cells express comparable levels of CYP1B1 and CYP2E1 as those in lung tissue. These CR cells also express comparable mRNA of CYP1A1/CYP1A2, CYP2B6/CYP2C9/CYP2D6 and CYP3A4/CYP3A5 compared to the lung tissue. The basal activity of CYP1A1/CYP1B1 in these CR cells was 3–6 folds higher than that of 16HBE cells (an immortalized cell line widely used in toxicology field). Our data also demonstrated that Benzo(a)pyrene (BaP) induced up to 100 folds of mRNA expression of CYP1A1 or CYP1A2 in CR-HNBE cells. The activity of CYP1A1/CYP1B1 was induced by BaP up to 7–8 folds in CR-HNBE cells, while the activity of CYP1A1/CYP1B1 was induced maximum 2.5 folds in 16HBE cells. Taken together, CR-HNBE cells express comparable levels of CYPs and are sensitive to BaP induction, and will serve a sensitive, physiological and valuable in vitro toxicity testing model. This is the first report that normal human airway cells can be propagated for a long time and maintain comparable levels of CYPs.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

The structure and propagation of laminar flames under autoignitive conditions

The laminar flame speed s l is an important reference quantity for characterising and modelling combustion. Experimental measurements of laminar flame speed require the residence time of the fuel/air mixture (τ f ) to be shorter than the autoignition delay time (τ). This presents a considerable challenge for conditions where autoignition occurs rapidly, such as in compression ignition engines. As a result, experimental measurements in typical compression ignition engine conditions do not exist. Simulations of freely propagating premixed flames, where the burning velocity is found as an eigenvalue of the solution, are also not well posed in such conditions, since the mixture ahead of the flame can autoignite, leading to the so called “cold boundary problem”. In this paper, a numerical method for estimating a reference flame speed, s R , is proposed that is valid for laminar flame propagation at autoignitive conditions. Two isomer fuels are considered to test this method: ethanol, which in the considered conditions is a single-stage ignition fuel; and dimethyl ether, which has a temperature-dependent single- or two-stage ignition and a negative temperature coefficient regime for τ. Calculations are performed for the flame position in a one-dimensional computational domain with inflow-outflow boundary conditions, as a function of the inlet velocity U I and for stoichiometric fuel–air premixtures. The response of the flame position, L F , to U I shows distinct stabilisation regimes. For single-stage ignition fuels, at low U I the flame speed exceeds U I and the flame becomes attached to the inlet. Above a critical U I value, the flame detaches from the inlet and L f becomes extremely sensitive to U I until, for sufficiently high U I , the sensitivity decreases and L f corresponds to the location expected from a purely autoignition stabilised flame. The transition from the attached to the autoignition regimes has a corresponding peak dL f /dU I value which is proposed to be a unique reference flame speed s R for single-stage ignition fuels. For two-stage ignition fuels, there is an additional stable regime where a high-temperature flame propagates into a pool of combustion intermediates generated by the first stage of autoignition. This results in two peaks in dL f /dU I and therefore two reference flame speed values. The lower value corresponds to the definition of s R for single-stage ignition fuels, while the higher value exists only for two-stage ignition fuels and corresponds to a high temperature flame propagating into the first stage of autoignition and is denoted s R ' . Finally, a transport budget analysis for low- and high-temperature radical species is also performed, which confirms that the flame structures at U I = s R and U I = s R ' do indeed correspond to premixed flames (deflagrations), as opposed to spontaneous ignition fronts which do not have a unique propagation speed.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2015

Self-rated health and chronic conditions are associated with blood concentrations of persistent organic pollutants in the general population of Catalonia, Spain

Background: Self-rated health (SRH) is a powerful predictor of mortality, morbidity, and need for health services. SRH generally increases with educational level, and decreases with age, number of chronic conditions, and body mass index (BMI). Because human concentrations of most persistent organic pollutants (POPs) also vary by age, education, and BMI, and because of the physiological and clinical effects of POPs, we hypothesized that body concentrations of POPs are inversely associated with SRH. Objectives: To analyze the relation between serum concentrations of POPs and SRH in the general population of Catalonia, Spain, taking into account sociodemographic factors and BMI, as well as chronic health conditions and mental disorders, measured by the General Health Questionnaire-12 (GHQ-12). Methods: POP serum concentrations were measured by gas chromatography with electron-capture detection in 919 participants of the Catalan Health Interview Survey. Results: Individuals with higher concentrations of POPs had significantly poorer SRH; e.g., the median concentration of HCB in subjects with poor SRH was twice as high as in subjects with excellent SRH (366 ng/g vs. 169 ng/g, respectively; p-value<0.001). In crude models and in models adjusted for sex and BMI, the POPs-SRH association was often dose-dependent, and the likelihood of poor or regular SRH was 2 to 4-times higher in subjects with POP concentrations in the top quartile. In models adjusted for age or for chronic conditions virtually all ORs were near unity. No associations were found between POP levels and GHQ-12. Conclusions: Individuals with higher concentrations of POPs had significantly poorer SRH, an association likely due to age and chronic conditions, but not to sex, education, social class, BMI, or mental disorders. - Highlights: • The relation between POPs and self-rated and mental health has seldom been studied. • Subjects with higher POP levels had poorer self-rated health (SRH) (dose-dependent). • The number of chronic conditions was positively related to POP levels. • The POPs-SRH association was likely due to age (or birth cohort), and to chronic conditions. • Causal or not, the fact is that people with poorer SRH often have higher levels of POPs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Effect of subsurface soil moisture variability and atmospheric conditions on methane gas migration in shallow subsurface

We report a major concern resulting from the increased use and production of natural gas has been how to mitigate fugitive greenhouse gas emissions (predominantly methane) from natural gas infrastructure (e.g., leaky shallow pipelines). Subsurface migration and atmospheric loading of methane from pipeline leakage is controlled by source configurations and subsurface soil conditions (e.g., soil heterogeneity and soil moisture) and are further affected by atmospheric conditions (e.g., wind and temperature). However, the transport and attenuation of methane under varying subsurface and atmospheric conditions are poorly understood, making it difficult to estimate leakage fluxes from methane concentration measurements at and above the soil surface. Based on a series of controlled bench-scale experiments using a large porous media tank interfaced with an open-return wind tunnel, this study investigated multiphase processes controlling migration of methane from a point source representing a buried pipeline leaking at fixed flow rate (kg/s) under various saturation and soil-texture conditions. In addition, potential effects of atmospheric boundary controls, wind (0.5 and 2.0 m s -1 ) and temperature (22 and 35 °C), were also examined. Results showed the distinct effects of soil heterogeneity and, to a varying degree, of soil moisture on surface methane concentrations. In addition, results also showed the pronounced effects of wind and, to a lesser degree, of temperature on surface methane concentrations in the presence of varying soil and moisture conditions. The observed subsurface methane profiles were simulated using the multiphase transport simulator TOUGH2-EOS7CA. Observed agreement between measured and simulated data demonstrates that for the conditions studied, multiphase migration of a multicomponent gas mixture (including methane) under density-dependent flow can be adequately represented with a Fickian advection-diffusion (or dispersion) model (ADM) framework. The dominant effect of saturation over the soil texture, could also be inferred from numerical characterization.

09 BIOMASS FUELS↗

DOE OSTI2018

Enforcing the Courant–Friedrichs–Lewy condition in explicitly conservative local time stepping schemes

In this study, an optimally efficient explicit numerical scheme for solving fluid dynamics equations, or any other parabolic or hyperbolic system of partial differential equations, should allow local regions to advance in time with their own, locally constrained time steps. However, such a scheme can result in violation of the Courant-Friedrichs-Lewy (CFL) condition, which is manifestly non-local. Although the violations can be considered to be "weak" in a certain sense and the corresponding numerical solution may be stable, such calculation does not guarantee the correct propagation speed for arbitrary waves . We use an experimental fluid dynamics code that allows cubic "patches" of grid cells to step with independent, locally constrained time steps to demonstrate how the CFL condition can be enforced by imposing a condition on the time steps of neighboring patches. We perform several numerical tests that illustrate errors introduced in the numerical solutions by weak CFL condition violations and show how strict enforcement of the CFL condition eliminates these errors. In all our tests the strict enforcement of the CFL condition does not impose a significant performance penalty.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Defect formation and transmutation behaviors in irradiated tungsten under thermal-neutron shielded and mixed spectrum conditions

Here, this study investigates the microstructural evolution of pure tungsten irradiated under thermal-neutron shielded and mixed spectrum conditions in the High Flux Isotope Reactor (HFIR). Four samples were irradiated at temperatures from 570 °C to 1130 °C up to 0.73 dpa. Neutron spectrum significantly influenced the accumulation of transmutation products, with Re+Os content estimated at ∼0.3–0.6% under thermal-neutron shielded conditions and ∼5.2% under the mixed spectrum condition. Irradiation temperature strongly influences tungsten’s microstructure, with dislocation loops and fine voids forming at lower temperatures and only larger voids and Re/Os segregation observed at higher temperature. Under thermal-neutron shielded conditions, dislocation loops and voids were observed at 570 °C and 790 °C. At the highest irradiation temperature (1130 °C), dislocation loops were no longer observed, while larger but less dense voids remained. Re and Os segregation to void surfaces was evident at 790 °C and 1130 °C, though no precipitation was observed. In contrast, under the mixed-spectrum condition, both spherical and needle-like Re/Os-rich precipitates were observed, frequently accompanied by large voids. Dislocation loops were not observed, but loop-like contrast within the precipitates suggests they may have nucleated on pre-existing loops. Irradiation-induced hardening was assessed for the shielded samples at 570 °C and 790 °C. Dispersed barrier hardening (DBH) analysis, based on TEM-resolved defects, revealed that voids were the dominant contributors to hardening, consistent with literature results. A schematic model is proposed to describe defect and precipitate evolution in tungsten under fusion-relevant transmutation-to-dpa conditions.

Dislocation loops↗

DOE OSTI2025

Microstructure and CPO evolution of dynamically recrystallized olivine during complex deformation conditions: a full-field numerical modeling approach

The rheological properties of mantle rocks are strongly dependent on their crystallographic preferred orientation (CPO). Olivine CPO, defined by the orientation of seismically fast [100] axes parallel to flow direction, is also thought to be a dominant contributor to seismic anisotropy in the Earth's upper mantle. However, the amount of deformation needed to overprint a new CPO on a pre-existing fabric and the impact of the inherited CPOs on the transient microstructure evolution, remain unknown. This study employs a full-field numerical approach (VPFFT-ELLE) to explore the dynamic recrystallization and microstructural evolution of olivine polycrystalline aggregates under complex deformation conditions. We test four combinations of successive pure shear and simple shear boundary conditions. Findings indicate that inherited CPOs influence subsequent deformation in a manner dependent on the kinematic relationship between successive stages. In all cases, a minor strain increment (ε ∼0.3–0.6) is sufficient to erase the previous microstructure and CPO. However, when deformation conditions change dramatically (e.g., stretching direction changes orthogonally), the intensity of the new CPO developed is significantly lower and strain distribution are specially altered. During a transient strain stage, pre-existing microstructures undergo extensive reworking, especially when deformation conditions are changed dramatically, such as switching from simple shear to a pure shear condition with a parallel shortening direction relative to the stretching direction. We estimate the significance of these results in interpreting observations of seismic velocity anisotropy, concluding that P-wave seismic anisotropy is significantly and positively correlated with the evolution of olivine CPO with deformation history. This research underscores the transient nature of microstructural rearrangement in olivine aggregates and the necessity for caution in interpreting seismic anisotropy in regions with complex deformation histories, as inherited CPOs can influence current fabric development and induce deviation to the present deformation conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Control on the homogeneity and crystallinity of Zn0.5Cd0.5S nanocomposite by different reaction conditions with high photocatalytic activity for hydrogen production from water

Highlights: • The effects of the various reaction conditions are investigated. • Different photocatalytic activities attributed to the different homogeneity and crystallinity of the nanoparticles. • Combination of good crystallinityand homogeneityresulted in an excellent photocatalytic activity. - Abstract: Zn{sub 0.5}Cd{sub 0.5}S nanoparticles with phase homojunctions were prepared by a one-step hydrothermal method with thioacetamide as sulfur source. The effects of the various reaction conditions, such as initial concentrations of Zn and Cd ions, initial content of sulfur source in the reaction mixture, and the temperature rising rate, are investigated. The photocatalytic activities for H{sub 2} evolution from water in the presence of sacrificial reagents of these Zn{sub 0.5}Cd{sub 0.5}S nanoparticles were significantly affected by the reaction conditions. These differences on the photocatalytic activities can be attributed to the different homogeneity and crystallinity of the nanoparticles prepared at different reaction conditions. A faster reaction rate leads to the formation of Zn{sub 0.5}Cd{sub 0.5}S nanoparticles with bad crystallinity, but good homogeneity. On the contrary, a slow reaction rate results in a bad homogeneity, but better crystallinity. Combination of good crystallinity and homogeneity in a Zn{sub 0.5}Cd{sub 0.5}S nanocomposite resulted in an excellent photocatalytic activity. The highest rate of H{sub 2} evolution achieved for these phase-homojunctions materials under visible-light irradiation (λ ≥ 420 nm) reached 1252.7 μmol h{sup −1} with an apparent quantum efficiency of 21.46% at 420 nm. The H{sub 2} evolution rate did not reduce distinctively in a continuous 15 hour test for H{sub 2} evolution, indicating an excellent stability for this material. This work not only demonstrates a facile method to produce highly active phase-homojunctions containing Zn{sub 0.5}Cd{sub 0.5}S solid solutions for photocatalytic hydrogen production from the perspective of controlling various reaction conditions, but also provides new insights into understanding the importance of the homogeneity and crystallinity for enhancing photocatalytic activity and stability of Zn{sub 0.5}Cd{sub 0.5}S solid solutions. It is expected that the strategies of modifying the homogeneity and crystallinity by controlling various reaction conditions can be extracted and used when designing other efficient and robust photocatalysts in the future.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2017

Diagnosing conditional anthropogenic contributions to heavy Colorado rainfall in September 2013

The Colorado floods of September 2013 caused severe damage and fatalities, and resulted from prolonged heavy rainfall unusual for that time of year – both in its record-breaking amounts and associated weather systems. We investigate the possible role of anthropogenic climate change in this extreme event. The unusual hydrometeorology of the event, however, challenges standard frameworks for attributing extreme events to anthropogenic climate change, because they typically struggle to simulate and connect the large-scale meteorology associated with local weather processes. Therefore we instead employ a part dynamical modelling- part observational- based event attribution approach, which simulates regional Colorado rainfall conditional on boundary conditions prescribed from the observed synoptic-scale meteorology in September 2013 – and assumes these conditions would have been similar in the absence of anthropogenic forcing. Using this ‘conditional event attribution’ approach we find that our regional climate model simulations indicate that anthropogenic drivers increased the magnitude of heavy northeast Colorado rainfall for the wet week in September 2013 by 30%, with the occurrence probability of a week at least that wet increasing by at least a factor of 1.3. By comparing the convective and large-scale components of rainfall, we find that this increase resulted in part from the additional moisture-carrying capacity of a warmer atmosphere – allowing more intense local convective rainfall that induced a dynamical positive feedback in the existing larger scale moisture flow – and also in part from additional moisture transport associated with larger scale circulation change. Our approach precludes assessment of changes in the frequency of the observed synoptic meteorological conditions themselves, and thus does not assess the effect of anthropogenic climate drivers on the statistics of heavy Colorado rainfall events. However, tailoring analysis tools to diagnose particular aspects of localized extreme weather events, conditional on the observed large-scale meteorology, can prove useful for diagnosing the physical effects of anthropogenic climate change on severe weather events – especially given large uncertainties in assessments of anthropogenic driven changes in atmospheric circulation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Upscaling of Regional Scale Transport Under Transient Conditions: Evaluation of the Multirate Mass Transfer Model

Abstract Regional scale transport models are needed to support the long‐term evaluation of groundwater quality and to develop management strategies aiming to prevent serious groundwater degradation. The purpose of this study is to evaluate the capacity of a previously developed upscaling approach to adequately describe the main solute transport processes, including the capture of late‐time tails under changing boundary conditions. Potential factors that impact the performance of upscaling methods, including temporal variations in mass transfer rates and mass distributions, were investigated. Advective‐dispersive contaminant transport in a 3‐D heterogeneous domain was simulated and used as a reference solution. The equivalent transport under homogeneous flow conditions was then evaluated by applying the multirate mass transfer (MRMT) model. The random walk particle tracking method was used to solve the solute transport for heterogeneous and homogeneous MRMT scenarios under steady state and transient conditions. The results indicate that the MRMT model can capture the tails satisfactorily for plumes transported with ambient steady state flow fields at all studied scales using the same parameters. However, when the boundary conditions change in either local, plume, or regional scale, the mass transfer model calibrated for transport under steady state conditions cannot accurately reproduce the tailings observed for the heterogeneous scenario. The deteriorating impacts of transient boundary conditions on the upscaled model are more significant for regions where the flow fields are dramatically affected, which highlights the poor applicability of the MRMT approach for complex field settings. This finding also has implications for the suitability of other potential upscaling approaches.

Guo, Zhilin↗

DOE OSTI2020

Hydration of α-UO 3 following storage under controlled conditions of temperature and relative humidity

Changes in chemical speciation of uranium oxides following storage under varied conditions of temperature and relative humidity are valuable for characterizing material provenance. In this study, subsamples of high purity α-UO 3 were stored under four sets of controlled conditions of temperature and relative humidity over several years, and then measured periodically for chemical speciation. Powder X-ray diffraction (XRD) analysis and extended X-ray absorption fine structure spectroscopy confirm hydration of α-UO 3 to a schoepite-like end product following storage under each of the varied storage conditions, but the species formed during exposure to the lower relative humidity and lower temperature condition follows different trends from those formed under the other three storage conditions (high relative humidity with high or low temperatures, and low relative humidity with a high temperature). Thermogravimetry coupled with XRD analysis was carried out to distinguish desorption pathways of water from the hydrated end products. Density functional theory calculations discern changes in the structure of α-UO 3 following incorporation of 1, 2 or 3 H 2 O molecules or 1, 2 or 3 OH groups into the orthorhombic lattice, revealing differences in lattice constants, U–O bond lengths, and U–U distances. The collective results from this analysis are in contrast to analogous studies that report that U 3 O 8 is oxidized and hydrated in air during storage under high relative humidity conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Ion and electron cyclotron wall conditioning in stellarator and tokamak magnetic field configuration on WEGA

Discharge wall conditioning is an effective tool to improve plasma performance in tokamaks and stellarators. RF Discharge Conditioning (RFDC) techniques are envisaged for use during operational campaigns on superconducting devices like the ITER tokamak and W7-X stellarator, as alternative to DC Glow Discharge Conditioning which is inefficient in presence of magnetic fields. This contribution investigates RFDC in both the ion and electron cyclotron range of frequencies (ICRF and ECRF) on the WEGA device (Max-Planck-Institute for Plasma Physics, Greifswald, Germany) as preparation for W7-X operation. ECRF discharges produced by localised absorption of RF power at EC resonance layers suffer from poor radial discharge homogeneity in the tokamak vacuum magnetic field configuration, severely limiting the plasma wetted wall areas and consequently the conditioning efficiency. The non-localised production of ICRF discharges by collisional RF power absorption features much improved discharge homogeneity making Ion Cyclotron Wall Conditioning (ICWC) the favoured RFDC technique for superconducting tokamaks. RFDC with the stellarator vacuum magnetic field needs to aim at sufficient plasma densities at and outside the last closed flux surface (LCFS), maximising the convective plasma flux along the open field lines to the wall. Whereas for ICRF discharges this condition is easily fulfilled, on WEGA for He-ECRF discharges this could be achieved as well by off axis heating close to the LCFS. In stellarator magnetic field configuration it is found that He-ICWC for wall desaturation is at least one order of magnitude more efficient than He-ECWC. Novel ECWC methods are proposed that can decrease this efficiency gap with ICWC to a factor 2-3. The efficiency difference is less pronounced in case of H{sub 2}-ICWC and ECWC for isotopic exchange.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Rényi generalizations of the conditional quantum mutual information

The conditional quantum mutual information I(A; B|C) of a tripartite state ρ{sub ABC} is an information quantity which lies at the center of many problems in quantum information theory. Three of its main properties are that it is non-negative for any tripartite state, that it decreases under local operations applied to systems A and B, and that it obeys the duality relation I(A; B|C) = I(A; B|D) for a four-party pure state on systems ABCD. The conditional mutual information also underlies the squashed entanglement, an entanglement measure that satisfies all of the axioms desired for an entanglement measure. As such, it has been an open question to find Rényi generalizations of the conditional mutual information, that would allow for a deeper understanding of the original quantity and find applications beyond the traditional memoryless setting of quantum information theory. The present paper addresses this question, by defining different α-Rényi generalizations I{sub α}(A; B|C) of the conditional mutual information, some of which we can prove converge to the conditional mutual information in the limit α → 1. Furthermore, we prove that many of these generalizations satisfy non-negativity, duality, and monotonicity with respect to local operations on one of the systems A or B (with it being left as an open question to prove that monotonicity holds with respect to local operations on both systems). The quantities defined here should find applications in quantum information theory and perhaps even in other areas of physics, but we leave this for future work. We also state a conjecture regarding the monotonicity of the Rényi conditional mutual informations defined here with respect to the Rényi parameter α. We prove that this conjecture is true in some special cases and when α is in a neighborhood of one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗