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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.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Modeling Pancreatic Tumor Motion Using 4-Dimensional Computed Tomography and Surrogate Markers

Purpose: To assess intrafractional positional variations of pancreatic tumors using 4-dimensional computed tomography (4D-CT), their impact on gross tumor volume (GTV) coverage, the reliability of biliary stent, fiducial seeds, and the real-time position management (RPM) external marker as tumor surrogates for setup of respiratory gated treatment, and to build a correlative model of tumor motion. Methods and Materials: We analyzed the respiration-correlated 4D-CT images acquired during simulation of 36 patients with either a biliary stent (n=16) or implanted fiducials (n=20) who were treated with RPM respiratory gated intensity modulated radiation therapy for locally advanced pancreatic cancer. Respiratory displacement relative to end-exhalation was measured for the GTV, the biliary stent, or fiducial seeds, and the RPM marker. The results were compared between the full respiratory cycle and the gating interval. Linear mixed model was used to assess the correlation of GTV motion with the potential surrogate markers. Results: The average ± SD GTV excursions were 0.3 ± 0.2 cm in the left-right direction, 0.6 ± 0.3 cm in the anterior-posterior direction, and 1.3 ± 0.7 cm in the superior-inferior direction. Gating around end-exhalation reduced GTV motion by 46% to 60%. D95% was at least the prescribed 56 Gy in 76% of patients. GTV displacement was associated with the RPM marker, the biliary stent, and the fiducial seeds. The correlation was better with fiducial seeds and with biliary stent. Conclusions: Respiratory gating reduced the margin necessary for radiation therapy for pancreatic tumors. GTV motion was well correlated with biliary stent or fiducial seed displacements, validating their use as surrogates for daily assessment of GTV position during treatment. A patient-specific internal target volume based on 4D-CT is recommended both for gated and not-gated treatment; otherwise, our model can be used to predict the degree of GTV motion.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Establishing substitution rules of functional groups for high-capacity organic anode materials in Na-ion batteries

Tailoring molecular structures of organic electrode materials (OEMs) can enhance their performance in Na-ion batteries, however, the substitution rules and the consequent effect on the specific capacity and working potential remain elusive. Herein, by examining three sodium carboxylates with selective N substitution or extended conjugation structure, we exploited the correlation between structure and performance to establish substitution rules for high-capacity OEMs. Our results show that substitution position and types of functional groups are essential to create active centers for uptake/removal of Na+ and thermodynamically stabilize organic structures. Furthermore, rational host design and electrolytes modulation were performed to extend the cycle life to 500 cycles. A full cell based on the optimal 2,2’-bipyridine-4,4’-dicarboxylic acid disodium salt anode and the polyaniline cathode is demonstrated to confirm the feasibility of achieving all-organic batteries. Lastly, this work provides a valuable guideline for the design principle of high-capacity and stable OEMs for sustainable energy storage.

25 ENERGY STORAGE↗
DOE OSTI2018

Up-regulated lncRNA-MSX2P1 promotes the growth of IL-22-stimulated keratinocytes by inhibiting miR-6731-5p and activating S100A7

Highlights: • High expression of MSX2P1 and S100A7 in psoriatic lesion tissues. • MSX2P1, functions as miR-6731-5p sponge, modulates S100A7 expression. • miR-6731-5p inhibits the progression of IL-22-stimulated keratinocytes by S100A7. Competitive endogenous RNAs (ceRNAs) regulate RNA transcripts by competing for shared miRNAs and play critical roles in disease development. Psoriasis is a long-lasting, recurring chronic inflammatory skin disease characterized by hyperproliferation of keratinocytes. The keratinocyte response is triggered by the activation of inflammatory cytokines, like interleukin-22 (IL-22). We used lncRNA array analysis to detect differentially expressed lncRNAs in skin (HaCaT) cells treated with or without IL-22. We used hematoxylin and eosin (H&E) staining to determine the pathological changes in skin cells and immunohistochemistry to evaluate the expression of S100A7. We used qRT-PCR and Western blotting to detect the expression levels of MSX2P1 and S100A7. We down-regulated the expression of MSX2P1 by infecting with lentiviral-vector shRNA. We measured cell proliferation, cell cycle status, and apoptosis by the CCK-8 assay, flow cytometry, and Annexin Ⅴ-FITC/PI staining, respectively. In addition, we used the luciferase reporter gene assay to determine the relationships between MSX2P1 or miR-6731-5p and S100A7, respectively. LncRNA array analysis revealed that 103 lncRNAs were up-regulated and 51 were down-regulated. Furthermore, qRT-PCR showed that the mRNAs levels of MSX2P1 was significantly altered in HaCaT cells treated with IL-22, compared with control cells; and MSX2P1 was mainly in the cytoplasm. Based on the IL-22-stimulated lncRNA-associated ceRNA network, we selected MSX2P1-miR-6731-5p-S100A7 for further study. H&E staining exhibited characteristic features specific to psoriatic lesions. Immunohistochemistry demonstrated significantly increased expression levels of S100A7 in psoriatic lesions, compared with normal skin tissue. We observed a positive correlation between lncRNA-MSX2P1 expression and S100A7 expression. In addition, miR-6731-5p suppressed proliferation, accelerated apoptosis in IL-22-stimulated keratinocytes, and decreased the expressions of S100A7, IL-12β, IL-23, HLA-C, CCHCR1, TNF-α, and NF-κB proteins. Our data demonstrated that MSX2P1 facilitate the progression and growth of IL-22-stimulated keratinocytes by inhibiting miR-6731-5p and activating S100A7. We speculate that the biological network of MSX2P1-miR-6731-5p-S100A7 is a potential novel therapeutic target for the future treatment of psoriasis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Low-Resistant Ion-Exchange Membranes for Energy Efficient Membrane Capacitive Deionization

Membrane capacitive deionization (MCDI) has emerged as an effective and energy efficient desalination technology for treating brackish water streams used in numerous industrial processes. Most material research studies on MCDI focus on improving the porous electrodes or using flowing electrode architectures, and little emphasis is given to the rationale design of ion-exchange membranes (IEMs) for MCDI. In this work, the ionic conductivity, permselectivity, and thickness for three different IEM chemistries (polyaliphatic, poly(arylene ether), and perfluorinated) were correlated to MCDI performance attributes: energy expended per ion removed, salt removal efficiency, and Coulombic efficiency. A 5- to 10-fold reduction in area specific resistance, which accounts for thickness and ionic conductivity, with unconventional perfluorinated and poly(arylene ether) IEMs reduced the energy expended per ion removed in MCDI by a factor of 2 when compared to conventional electrodialysis IEMs. In situ electrochemical impedance spectroscopy substantiated that thinner membranes with higher ionic conductivity helped in the reduction of energy expended per ion removed (more than 50%). Lastly, the lower than 100% Coulombic efficiency is ascribed to carbon corrosion of the porous electrodes highlighting that further improvements in MCDI do not just necessitate more appropriate membranes but corrosion resilient electrodes. KEYWORDS: Desalination, Ion-exchange membranes, Membrane capacitive deionization

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Environmental Controls on MCS Lifetime Rainfall Over Tropical Oceans

Abstract Mesoscale convective systems (MCSs) contribute a majority of rainfall over tropical oceans. However, our understanding of the environmental controls on tropical oceanic MCS precipitation remains incomplete. Using 20‐year of satellite observations, reanalysis data, and MCS tracking, we found that MCSs initiating in a mesoscale environment with enhanced lower‐free‐tropospheric moisture, warmer middle troposphere, stronger low‐level ascent, and stronger deep‐layer (surface‐400 hPa) wind shear tend to produce more precipitation during their lifetimes. While most of these environmental factors are correlated with one another, the deep‐layer shear is not. A rapid pickup in MCS lifetime rainfall is found when the lower‐free‐tropospheric specific humidity exceeds 10 g kg −1 . This nonlinearity is mostly dominated by the nonlinear increase in MCS area. On the other hand, both MCS area and rain rate increase quasi‐linearly with the deep‐layer shear. The increase in rain rate is related to the enhancement of heavy precipitating convective activity with deep‐layer shear.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Direct observation of charge mediated lattice distortions in complex oxide solid solutions

Using aberration corrected scanning transmission electron microscopy combined with advanced imaging methods, we directly observe atom column specific, picometer-scale displacements induced by local chemistry in a complex oxide solid solution. Displacements predicted from density functional theory were found to correlate with the observed experimental trends. Further analysis of bonding and charge distribution was used to clarify the mechanisms responsible for the detected structural behavior. By extending the experimental electron microscopy measurements to previously inaccessible length scales, we identified correlated atomic displacements linked to bond differences within the complex oxide structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Comparing T-odd and T-even spin sum rules

Sum rules for T-even and T-odd structure functions and parton distributions are considered. The case of spin-dependent distributions related to energy-momentum tensor (EMT) is specifically addressed. The Burkardt sum rule for T-odd Sivers functions may be related to EMT provided the imaginary prescription for gluonic pole correlator is incorporated. The momentum sum rule for deuteron tensor spin structure function allows one to probe indirectly the gravity couplings to quarks and gluons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The cluster model of a hot dense vapor

We explore thermodynamic properties of a vapor in the range of state parameters where the contribution to thermodynamic functions from bound states of atoms (clusters) dominates over the interaction between the components of the vapor in free states. The clusters are assumed to be light and sufficiently “hot” for the number of bonds to be minimized. We use the technique of calculation of the cluster partition function for the cluster with a minimum number of interatomic bonds to calculate the caloric properties (heat capacity and velocity of sound) for an ideal mixture of the lightest clusters. The problem proves to be exactly solvable and resulting formulas are functions solely of the equilibrium constant of the dimer formation. These formulas ensure a satisfactory correlation with the reference data for the vapors of cesium, mercury, and argon up to moderate densities in both the sub- and supercritical regions. For cesium, we extend the model to the densities close to the critical one by inclusion of the clusters of arbitrary size. Knowledge of the cluster composition of the cesium vapor makes it possible to treat nonequilibrium phenomena such as nucleation of the supersaturated vapor, for which the effect of the cluster structural transition is likely to be significant.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The relation between luminous AGNs and star formation in their host galaxies

We study the relation of active galactic nuclei (AGNs) to star formation in their host galaxies. Our sample includes 205 Type-1 and 85 Type-2 AGNs, 162 detected with Herschel, from fields surrounding 30 galaxy clusters in the Local Cluster Substructure Survey. The sample is identified by optical line widths and ratios after selection to be brighter than 1 mJy at 24 μm. We show that Type-2 AGN [O iii]λ5007 line fluxes at high z can be contaminated by their host galaxies with typical spectrograph entrance apertures (but our sample is not compromised in this way). We use spectral energy distribution (SED) templates to decompose the galaxy SEDs and estimate star formation rates (SFRs), AGN luminosities, and host galaxy stellar masses (described in an accompanying paper). The AGNs arise from massive black holes (∼3×10{sup 8}M{sub ⊙}) accreting at ∼10% of the Eddington rate and residing in galaxies with stellar mass >3×10{sup 10}M{sub ⊙}; those detected with Herschel have IR luminosity from star formation in the range of L{sub SF,IR}∼10{sup 10}−10{sup 12}L{sub ⊙}. We find that (1) the specific SFRs in the host galaxies are generally consistent with those of normal star-forming (main sequence) galaxies; (2) there is a strong correlation between the luminosities from star formation and the AGN; and (3) the correlation may not result from a causal connection, but could arise because the black hole mass (and hence AGN Eddington luminosity) and star formation are both correlated with the galaxy mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

A density-wave-like transition in the polycrystalline V 3 Sb 2 sample with bilayer kagome lattice

Recently, transition-metal-based kagome metals have aroused much research interest as a novel platform to explore exotic topological quantum phenomena. Here we report on the synthesis, structure, and physical properties of a bilayer kagome lattice compound V 3 Sb 2 . The polycrystalline V 3 Sb 2 samples were synthesized by conventional solid-state-reaction method in a sealed quartz tube at temperatures below 850 °C. Measurements of magnetic susceptibility and resistivity revealed consistently a density-wave-like transition at T dw ≈ 160 K with a large thermal hysteresis, even though some sample-dependent behaviors were observed presumably due to the different preparation conditions. Upon cooling through T dw , no strong anomaly in lattice parameters and no indication of symmetry lowering were detected in powder x-ray diffraction measurements. This transition can be suppressed completely by applying hydrostatic pressures of about 1.8 GPa, around which no sign of superconductivity was observed down to 1.5 K. Specific-heat measurements revealed a relatively large Sommerfeld coefficient γ = 18.5 mJ∙mol –1 ∙K –2 , confirming the metallic ground state with moderate electronic correlations. Density functional theory calculations indicate that V 3 Sb 2 shows a non-trivial topological crystalline property. Furthermore, our study makes V 3 Sb 2 a new candidate of metallic kagome compound to study the interplay between density-wave-order, nontrivial band topology, and possible superconductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Interplay of charge density wave states and strain at the surface of CeTe 2

in this work we use scanning tunneling microscopy (STM) to study charge density wave (CDW) states in the rare-earth ditelluride, CeTe 2 . Our STM measurements surprisingly detect a unidirectional CDW with q ~ 0.28 a * , which differs from previous experimental and first-principles studies of the rare-earth ditellurides, and which is very close to what is found in experimental measurements of the related rare-earth tritellurides. Furthermore, in the vicinity of an extended subsurface defect, we find spatially-separated as well as spatially-coexisting unidirectional CDWs at the surface of CeTe 2 . We quantify the nanoscale strain and its variations induced by this defect, and establish a correlation between local lattice strain and the locally-established CDW states; this suggests that lattice strain plays an important role in determining the specific characteristics of the established CDW state. Our measurements probe the fundamental properties of a weakly-bound two-dimensional Te sheet, which experimental and theoretical work has previously established as the fundamental component driving much of the essential physics in both the rare-earth di- and tritelluride compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Finite-temperature tensor network study of the Hubbard model on an infinite square lattice

Here, the Hubbard model is a longstanding problem in the theory of strongly correlated electrons and a very active one in the experiments with ultracold fermionic atoms. Motivated by current and prospective quantum simulations, we apply a two-dimensional tensor network—an infinite projected entangled pair state—evolved in imaginary time by the neighborhood tensor update algorithm working directly in the thermodynamic limit. With U⁡(1)×U⁡(1) symmetry and the bond dimensions up to 29, we generate thermal states down to the temperature of 0.17 times the hopping rate. We obtain results for spin and charge correlators, unaffected by boundary effects. The spin correlators—measurable in prospective ultracold atoms experiments attempting to approach the thermodynamic limit—provide evidence of disruption of the antiferromagnetic background with mobile holes in a slightly doped Hubbard model. The charge correlators reveal the presence of hole-doublon pairs near half filling and signatures of hole-hole repulsion on doping. We also obtain specific heat in the slightly doped regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Shape transition with temperature of the pear-shaped nuclei in covariant density functional theory

The shape evolutions of the pear-shaped nuclei $^{224}$Ra and even-even $^{144-154}$Ba with temperature are investigated by the finite-temperature relativistic mean field theory with the treatment of pairing correlations by the BCS approach. We study the free energy surfaces as well as the bulk properties including deformations, pairing gaps, excitation energy, and specific heat for the global minimum. For $^{224}$Ra, three discontinuities found in the specific heat curve indicate the pairing transition at temperature 0.4 MeV, and two shape transitions at temperatures 0.9 and 1.0 MeV, namely one from quadrupole-octupole deformed to quadrupole deformed, and the other from quadrupole deformed to spherical. Furthermore, the gaps at $N$=136 and $Z$=88 are responsible for stabilizing the octupole-deformed global minimum at low temperatures. Similar pairing transition at $T\sim$0.5 MeV and shape transitions at $T$=0.5-2.2 MeV are found for even-even $^{144-154}$Ba. Finally, the transition temperatures are roughly proportional to the corresponding deformations at the ground states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Bayesian Framework for Multi-Timescale State Estimation in Low-Observable Distribution Systems

To support the smart grid paradigm, there has been a significant increase in sensor deployments and metering infrastructure in distribution systems. However, the measurements provided by these sensors and metering devices are typically sampled at different rates and could suffer from losses during the aggregation process. It is crucial to effectively reconcile the time-series measurements for a reliable state estimation. While weighted least squares has been the traditional approach for state estimation, sparsity-based approaches like matrix completion have become popular due to their superior performance in low-observability conditions. This paper proposes a Bayesian framework for both multi-timescale data aggregation and matrix completion based state estimation. Specifically, the multiscale time-series data aggregated from heterogenous sources are reconciled using a multitask Gaussian process that exploits the spatio-temporal correlations. Here, the resulting consistent timeseries alongwith the confidence bound on the imputations are fed into a Bayesian matrix completion method augmented with linearized power-flow constraints to accurately estimate the states in low-observability conditions. Results on three phase unbalanced IEEE 37 and IEEE 123 bus test systems reveal the superior performance of the proposed Bayesian framework. The computational complexity for the proposed Bayesian framework is also quantified.

42 ENGINEERING↗
DOE OSTI2025

Water Temperature, Prey Concentration and Salmonid Density Influence Daily Growth of Wild Juvenile Salmonids in Tributaries of the Upper Salmon River, Idaho ( USA )

ABSTRACT Theory, experiments and field studies indicate that the somatic growth rate of freshwater consumers is shaped by the individual, additive and multiplicative effects of multiple factors, including consumer size and condition, temperature, prey resources and biotic interactions. While our understanding of how these factors affect wild populations of freshwater consumers is improving, the topic remains poorly studied, especially with respect to mobile species. Here, we report on an 8‐year, seven‐stream ( n = 49 stream‐year combinations) observational study examining the individual and interactive effects of invertebrate prey concentration (F, mg/m 3 ), mean daily water temperature (T, °C) and juvenile Chinook salmon ( Oncorhynchus tshawytscha ) density (D, fish/100 m 2 ) on summer daily growth rates (%/d) of mobile, anadromous, juvenile Chinook salmon (age‐0+, n = 382) and sub‐yearling (age‐0+, n = 61) and yearling (age‐1+) steelhead trout ( O. mykiss , n = 70) rearing in cold (mean daily summer: 12.1°C, range: 4.2°C–16.7°C) mountain tributaries of the Salmon River basin in central Idaho (USA). AIC c model selection indicated that daily juvenile salmonid growth positively correlated with water temperature, prey biomass concentration, local juvenile Chinook density and the interaction between water temperature and food but with species and age‐specific differences. Water temperature was a covariate in all top‐ranked models, with daily growth (%/day) rate increasing (0.05%–0.23%/d) linearly with mean daily summer water temperature. In addition to a direct positive relationship with daily growth rate, there was evidence that prey concentration positively interacted with water temperature to accelerate daily growth (F × T). The positive relationship between juvenile salmonid daily growth rate and juvenile Chinook density is difficult to explain and could result from confounding factors. The individual success observed in these streams may contribute to population‐level benefits for the focal consumers, as prey‐rich, warm summers may result in larger individuals with higher energy reserves at the end of the summer/autumn growing season, contributing to improved overwinter survival. Our results, taken in combination with evidence from models, experiments and observational studies, have climate change implications. Current and predicted increases in water temperature will necessitate higher rates of prey consumption by aquatic ectothermic consumers to offset accelerated metabolic demands. Thus, to improve the resilience of mobile freshwater consumers in a warming climate, we suggest that natural resource managers not only consider physical and chemical habitat conditions but also biotic conditions, including the spatiotemporal quantity and quality of prey resources.

Kiffney, Peter. M. [Fish Ecology, Northwest Fisher↗
DOE OSTI2025

Single-shot measurements of shaped XUV FEL pulses with frequency-resolved optical gating

The ability to control the amplitude and phase of extreme ultraviolet (XUV) and X-ray free-electron laser (FEL) pulses can allow for the extension of optical techniques, such as multidimensional spectroscopy or coherent control, to higher photon energies, for probing and controlling core electronic transitions. However, this requires the ability to make single-shot, and complete, electric field measurements of potentially complex FEL pulses, in order to develop, and verify, pulse shaping strategies. Here, we present direct, single-shot measurements of XUV pulses generated under special operating configurations for producing specific pulse shapes from a laser-seeded XUV FEL. To do this, we built upon our past work using transient grating (TG) cross correlation frequency-resolved optical gating (FROG), where an optical reference pulse is diffracted from an XUV TG produced by a pair of interfering FEL pulses. The resulting nonlinear signal versus frequency and delay, i.e., the FROG trace, contains the electric field of the FEL pulse. The FEL pulse electric field is reconstructed from the FROG trace using a phase retrieval algorithm. Here we confirmed three different pulse shaping strategies for generating chirped, double and multiple FEL pulses by tuning the seed laser and FEL parameters and measuring the resulting shaped FEL pulses with TG XFROG. This work paves the way for generating on-demand pulse shapes with a seeded FEL by improving the characterization of FEL pulses, for transform-limited to more complex shapes.

Elverson, Francesca↗
DOE OSTI2017

Comparison of 252Cf time correlated induced fission with AmLi induced fission on fresh MTR reserach reactor fuel

The objectives of this project are to calibrate the Advanced Experimental Fuel Counter (AEFC), benchmark MCNP simulations using experimental results, investigate the effects of change in fuel assembly geometry, and finally to show the boost in doubles count rates with 252Cf active soruces due to the time correlated induced fission (TCIF) effect.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Gaussian Process Optimization of Sensitivity-Based Similarity Metrics between New Nuclear Applications and New/Existing Benchmarks [Slides]

This presentation discusses Nuclear Criticality Safety (NCS) and how designing safe, new nuclear criticality experiments requires expert judgement, which could take years of experience. Sensitivity/uncertainty (S/U) analysis can be utilized by less experienced individuals to conservatively estimate uncertainties in important parameters, such as k eff , in newly proposed nuclear experiments. The presentation poses the question of how this analysis can be performed and states that the answer lies in matching new nuclear experiments with existing benchmark experiments using similarity metrics. By increasing the criticality safety of the application in this work, higher mass limits could be used in PF-4 operations. Additionally, the presentation discusses MCNP6.2®, Whisper-1.1, the software that can be used in this analysis. Also discussed is the fact that International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmarks rarely match new nuclear applications and that there are significant differences in given set of materials and/or geometry. If there are no benchmarks that match the application, the presentation discusses the possibility of creating new benchmarks. In conclusion, this work presents a Gaussian process (GP) optimization scheme that was used to generate new benchmarks with the highest sensitivity-based similarity metrics to user-defined nuclear applications. The Gaussian process optimization successfully designed 3 new experimental benchmarks that were highly correlated to the application of interest and had k eff values near critical. Optimization over c k,i-r has shown that investigating specific isotope reactions for different applications is crucial to designing benchmark experiments. Partial contribution from Pu dominates c k similarity metric. Future work includes testing new stand-alone similarity metrics or new combinations of similarity metrics as the design criterion of this optimization – design criterion is application dependent.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗