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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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At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Proteome targets of ubiquitin-like samp1ylation are associated with sulfur metabolism and oxidative stress in Haloferax volcanii

Small archeal modifier proteins (SAMPs) are related to ubiquitin in tertiary structure and in their isopeptide linkage to substrate proteins. SAMPs also function in sulfur mobilization to form biomolecules such as molybdopterin and thiolated tRNA. While SAMP1 is essential for anaerobic growth and covalently attached to lysine residues of its molybdopterin synthase partner MoaE (K240 and K247), the full diversity of proteins modified by samp1ylation is not known. In this paper, we expand the knowledge of proteins isopeptide linked to SAMP1. LC-MS/MS analysis of -Gly-Gly signatures derived from SAMP1 S85R conjugates cleaved with trypsin was used to detect sites of sampylation (23 lysine residues) that mapped to 11 target proteins. Many of the identified target proteins were associated with sulfur metabolism and oxidative stress including MoaE, SAMP-activating E1 enzyme (UbaA), methionine sulfoxide reductase homologs (MsrA and MsrB), and the Fe-S assembly protein SufB. Several proteins were found to have multiple sites of samp1ylation, and the isopeptide linkage at SAMP3 lysines (K18, K55, and K62) revealed hetero-SAMP chain topologies. Follow-up affinity purification of selected protein targets (UbaA and MoaE) confirmed the LC-MS/MS results. 3D homology modeling suggested sampy1ylation is autoregulatory in inhibiting the activity of its protein partners (UbaA and MoaE), while occurring on the surface of some protein targets, such as SufB and MsrA/B. Finally and overall, we provide evidence that SAMP1 is a ubiquitin-like protein modifier that is relatively specific in tagging its protein partners as well as proteins associated with oxidative stress response.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Elucidating Structural Disorder in Ultra‐Thin Bi‐Rich Bismuth Oxyhalide Photocatalysts

Abstract Advancing the field of photocatalysis requires the elucidation of structural properties that underpin the photocatalytic properties of promising materials. The focus of the present study is layered, Bi‐rich bismuth oxyhalides, which are widely studied for photocatalytic applications yet poorly structurally understood, due to high levels of disorder, nano‐sized domains, and the large number of structurally similar compounds. By connecting insights from multiple scattering techniques, utilizing electron‐, X‐ray‐ and neutron probes, the crystal phase of the synthesized materials is allocated as layered Bi 24 O 31 X 10 (X = Cl, Br), albeit with significant deviation from the reported 3D crystalline model. The materials comprise anisotropic platelet‐shaped crystalline domains, exhibiting significant in‐plane ordering in two dimensions but disorder and an ultra‐thin morphology in the layer stacking direction. Increased synthesis pH tailored larger, more ordered crystalline domains, leading to longer excited state lifetimes determined via femtosecond transient absorption spectroscopy (fs‐TAS). Although this likely contributes to improved photocatalytic properties, assessed via the photooxidation of benzylamine, increasing the overall surface area facilitated the most significant improvement in photocatalytic performance. This study, therefore, enabled both phase allocation and a nuanced discussion of the structure‐property relationship for complicated, ultra‐thin photocatalysts.

Chemistry↗
DOE OSTI2018

The 3d stress-tensor bootstrap

Here, we study the conformal bootstrap for 4-point functions of stress tensors in parity-preserving 3d CFTs. To set up the bootstrap equations, we analyze the constraints of conformal symmetry, permutation symmetry, and conservation on the stress-tensor 4-point function and identify a non-redundant set of crossing equations. Studying these equations numerically using semidefinite optimization, we compute bounds on the central charge as a function of the independent coefficient in the stress-tensor 3-point function. With no additional assumptions, these bounds numerically reproduce the conformal collider bounds and give a general lower bound on the central charge. We also study the effect of gaps in the scalar, spin-2, and spin-4 spectra on the central charge bound. We find general upper bounds on these gaps as well as tighter restrictions on the stress-tensor 3-point function coefficients for theories with moderate gaps. When the gap for the leading scalar or spin-2 operator is sufficiently large to exclude large N theories, we also obtain upper bounds on the central charge, thus finding compact allowed regions. Finally, assuming the known low-lying spectrum and central charge of the critical 3d Ising model, we determine its stress-tensor 3-point function and derive a bound on its leading parity-odd scalar.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Bootstrapping the 3d Ising stress tensor

We compute observables of the critical 3d Ising model to high precision by applying the numerical conformal bootstrap to mixed correlators of the leading scalar operators σ and ϵ, and the stress tensor T μν . We obtain new precise determinations of scaling dimensions (∆ σ , ∆ ϵ ) = (0.518148806(24), 1.41262528(29)) as well as OPE coefficients involving σ, ϵ, and T μν . We also describe several improvements made along the way to algorithms and software tools for the numerical bootstrap.

Conformal and W Symmetry↗
DOE OSTI2021

Distributions in CFT. Part II. Minkowski space

CFTs in Euclidean signature satisfy well-accepted rules, such as the convergent Euclidean OPE. It is nowadays common to assume that CFT correlators exist and have various properties also in Lorentzian signature. Some of these properties may represent extra assumptions, and it is an open question if they hold for familiar statistical-physics CFTs such as the critical 3d Ising model. Here we consider Wightman 4-point functions of scalar primaries in Lorentzian signature. We derive a minimal set of their properties solely from the Euclidean unitary CFT axioms, without using extra assumptions. We establish all Wightman axioms (temperedness, spectral property, local commutativity, clustering), Lorentzian conformal invariance, and distributional convergence of the s-channel Lorentzian OPE. This is done constructively, by analytically continuing the 4-point functions using the s-channel OPE expansion in the radial cross-ratios ρ, ρ¯. We prove a key fact that |ρ|, |ρ¯| < 1 inside the forward tube, and set bounds on how fast |ρ|, |ρ¯| may tend to 1 when approaching the Minkowski space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

The five-point bootstrap

We study five-point correlation functions of scalar operators in d-dimensional conformal field theories. We develop a new approach to computing the five-point conformal blocks for exchanged primary operators of arbitrary spin by introducing a generalization of radial coordinates, using an appropriate ansatz, and perturbatively solving two quadratic Casimir differential equations. We then study five-point correlators 〈σσϵσσ〉 in the critical 3d Ising model. We truncate the operator product expansions (OPEs) in the correlator by including a finite number of primary operators with conformal dimension below a cutoff ∆ ⩽ ∆ cutoff . We then compute several OPE coefficients involving ϵ and two spinning operators by demanding that the truncated correlator approximately satisfies the crossing relation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Supersymmetric defect models and mirror symmetry

We study supersymmetric field theories in three space-time dimensions doped by various configurations of electric charges or magnetic fluxes. These are supersymmetric avatars of impurity models. In the presence of additional sources such configurations are shown to preserve half of the supersymmetries. Mirror symmetry relates the two sets of configurations. We discuss the implications for impurity models in 3d NN = 4 QED with a single charged hypermultiplet (and its mirror, the theory of a free hypermultiplet) as well as 3d NN = 2 QED with one flavor and its dual, a supersymmetric Wilson-Fisher fixed point. Mirror symmetry allows us to find backreacted solutions for arbitrary arrays of defects in the IR limit of NN = 4 QED. Our analysis, complemented with appropriate string theory brane constructions, sheds light on various aspects of mirror symmetry, the map between particles and vortices and the emergence of ground state entropy in QED at finite density.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Detecting Surface Changes from an Underground Explosion in Granite Using Unmanned Aerial System Photogrammetry

Efficient detection and high-fidelity quantification of surface changes resulting from underground activities are important national and global security efforts. In this investigation, a team performed field-based topographic characterization by gathering high-quality photographs at very low altitudes from an unmanned aerial system (UAS)-borne camera platform. The data collection occurred shortly before and after a controlled underground chemical explosion as part of the United States Department of Energy’s Source Physics Experiments (SPE-5) series. The high-resolution overlapping photographs were used to create 3D photogrammetric models of the site, which then served to map changes in the landscape down to 1-cm-scale. Separate models were created for two areas, herein referred to as the test table grid region and the nearfield grid region. The test table grid includes the region within ~40 m from surface ground zero, with photographs collected at a flight altitude of 8.5 m above ground level (AGL). The near-field grid area covered a broader area, 90–130 m from surface ground zero, and collected at a flight altitude of 22 m AGL. The photographs, processed using Agisoft Photoscan® in conjunction with 125 surveyed ground control point targets, yielded a 6-mm pixel-size digital elevation model (DEM) for the test table grid region. This provided the ≤3 cm resolution in the topographic data to map in fine detail a suite of features related to the underground explosion: uplift, subsidence, surface fractures, and morphological change detection. The near-field grid region data collection resulted in a 2-cm pixel-size DEM, enabling mapping of a broader range of features related to the explosion, including: uplift and subsidence, rock fall, and slope sloughing. This study represents one of the first works to constrain, both temporally and spatially, explosion-related surface damage using a UAS photogrammetric platform; these data will help to advance the science of underground explosion detection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Respiratory-Induced Haemodynamic Changes: A Contributing Factor to IVC Filter Penetration

PurposeThe purpose of the study is to evaluate the influence of respiratory-induced vena caval hemodynamic changes on filter migration/penetration.Materials and MethodsAfter placement of either a Gunther Tulip or Celect IVC filter, 101 consecutive patients scheduled for filter retrieval were prospectively enrolled in this study. Pre-retrieval CT scans were used to assess filter complications and to calculate cross-sectional area in three locations: at level of filter strut fixation, 3 cm above and 3 cm below. A 3D finite element simulation was constructed on these data and direct IVC pressure was recorded during filter retrieval. Cross-sectional areas and pressures of the vena cava were measured during neutral breathing and in Valsalva maneuver and identified filter complications were recorded. A statistical analysis of these variables was then performed.ResultsDuring Valsalva maneuvers, a 60 % decrease of the IVC cross-sectional area and a fivefold increase in the IVC pressure were identified (p < 0.001). There was a statistically significant difference in the reduction of the cross-sectional area at the filter strut level (p < 0.001) in patient with filter penetration. Difficulty in filter retrieval was higher in penetrated or tilted filters (p < 0.001; p = 0.005). 3D computational models showed significant IVC deformation around the filter during Valsalva maneuver.ConclusionCaval morphology and hemodynamics are clearly affected by Valsalva maneuvers. A physiological reduction of IVC cross-sectional area is associated with higher risk of filter penetration, despite short dwell times. Physiologic data should be used to improve future filter designs to remain safely implanted over longer dwell times.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Critical Behavior of the Specific Heat of Pr{sub 0.6}Sr{sub 0.4}Mn{sub 1−x}Fe{sub x}O{sub 3} Manganites

The specific heat of Pr{sub 0.6}Sr{sub 0.4}Mn{sub 1−x}Fe{sub x}O{sub 3} (x = 0 and 0.1) manganites was measured in the temperature range 80–350 K. A nature of the ferromagnetic phase transition is studied via the analysis of a specific heat critical behavior near the Curie temperature with account of correction to the scaling. The critical indices calculated with the account of correction to the scaling α = −0.0981 and −0.1208 for x = 0 and 0.10, correspondingly, are close to those of the 3D Heisenberg model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Investigation of Magnetic, Magnetocaloric, and Critical Properties of La{sub 0.5}Ba{sub 0.5}MnO{sub 3} Manganite

We present an extensive study of the magnetic properties of a novel La{sub 0.5}Ba{sub 0.5}MnO{sub 3} perovskite material prepared by the hydrothermal method. The explored sample was structurally studied by the x-ray diffraction (XRD) method which confirms the formation of a pure cubic phase of a perovskite structure with Pm3m space group. The magnetic properties were probed by employing temperature M (T) and external magnetic field M (μ{sub o}H) dependence of magnetization measurements. A magnetic phase transition from ferromagnetic to paramagnetic phase occurs at 339 K in this sample. The maximum magnetic entropy change (|ΔS{sub M}{sup max}|) took a value of 1.4 J kg{sup − 1} K{sup − 1} at the applied magnetic field of 4.0 T for the explored sample and has also been found to occur at Curie temperature (T{sub C}). This large entropy change might be instigated from the abrupt reduction of magnetization at T{sub C}. The magnetocaloric effect (MCE) is maximum at T{sub C} as represented by M (μ{sub o}H) isotherms. The relative cooling power (RCP) is 243.2 J kg{sup − 1} at μ{sub o}H = 4.0 T. Moreover, the critical properties near T{sub C} have been probed from magnetic data. The critical exponents δ, β, and γ with values 3.82, 0.42, and 1.2 are close to the values predicted by the 3D Ising model. Additionally, the authenticity of the critical exponents has been confirmed by the scaling equation of state and all data fall on two separate branches, one for T < T{sub C} and the other for T > T{sub C}, signifying that the critical exponents obtained in this work are accurate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Numerical Research on Magnetic Field, Temperature Field and Flow Field During Melting and Directionally Solidifying TiAl Alloys by Electromagnetic Cold Crucible

The electromagnetic cold crucible (EMCC) technique is an effective method to melt and directionally solidify reactive and high-temperature materials without contamination. The temperature field and fluid flow induced by the electromagnetic field are very important for melting and controlling the microstructure. In this article, a 3D EMCC model for calculating the magnetic field in the charges (TiAl alloys) using the T-Ω finite element method was established and verified. Magnetic fields in the charge under different electrical parameters, positions and dimensions of the charge were calculated and analyzed. The calculated results show that the magnetic field concentrates in the skin layer, and the magnetic flux density (B) increases with increasing of the frequency, charge diameter and current. The maximum B in the charge is affected by the position of the charge in EMCC (h{sub 1}) and the charge height (h{sub 2}), which emerges at the middle of coils (h{sub c}) when the relationship of h{sub c} < h{sub 1} + h{sub 2} < h{sub c} + δ is satisfied. Lower frequency and smaller charge diameter can improve the uniformity of the magnetic field in the charge. Consequently, the induced uniform electromagnetic stirring weakens the turbulence and improves temperature uniformity in the vicinity of the solid/liquid (S/L) interface, which is beneficial to forming a planar S/L interface during directional solidification. Based on the above conclusions, the TiAlNb alloy was successfully melted with lower power consumption and directionally solidified by the square EMCC.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Thermomechanical Analysis of A-TIG and MP-TIG Welding of 2.25Cr-1Mo Steel Considering Phase Transformation

In the present study, a finite element-based 3D mesh model is used to simulate the effect of welding processes on the temperature distribution, residual stress and distortion in 11-mm-thick 2.25Cr-1Mo steel weld joints. Tungsten inert gas (TIG) and activated-TIG (A-TIG) welding processes were employed for the fabrication of weld joints. Austenite-to-bainite phase transformation is taken into account in the numerical analysis. The heat input fitting tool has been used to calibrate the heat source by matching the simulated weld bead with that of the actual weld bead. Peak temperature was higher at the weld center for A-TIG weld joint, and the weld joint exhibited a sharp temperature gradient at the weld interface. There was good agreement between the predicted and measured thermal cycles. A-TIG and multipass-TIG (MP-TIG) weld joints exhibited similar longitudinal residual stresses in heat affected zone with a difference of 50 MPa. Moreover, A-TIG weld joint fabricated by double-side welding technique employing two passes exhibited reduced distortion than MP-TIG weld joints. A higher magnitude of distortion was in MP-TIG weld joint which was attributed to more weld metal volume caused by more number of weld passes required to fill the V-groove. There was good agreement between the predicted and measured residual stress and distortion values.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Tribology behavior on scratch tests: Effects of yield strength

In this paper, a three-dimensional (3D) scratch model is proposed to investigate the effects of yield strength of both coatings and substrates. With the help of combined Coulomb and plastic friction, the obtained results comprehensively interpret the experimental phenomena in most metals that with the growth of hardness after heat treatment the scratch friction coefficient (SFC) increases. This interpretation could not be done before. Scratch tests on the surface with or without the coating are discussed. Without the coating the SFC increases due to the decrease of the area with plastic slippage and/or the increase of friction stress during the increase of the yield strength in the material. With a softer substrate the friction stress decreases but the SFC increases, which is caused by the growth of the entire contact area and surface deformation. Conversely, with a stronger substrate the SFC decreases due to an intensified plastic slippage In conclusion, the obtained results pave a new way to understanding the effects of yield strength on scratch tests, interpret experimental phenomena, and should be helpful for an optimum design in experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Three-Dimensional Numerical Investigation of a Novel Shallow Bore Ground Heat Exchanger Integrated with Phase Change Material

The heat transfer performance of an innovative design of ground heat exchanger, called underground thermal battery (UTB), was investigated in this paper. The UTB is designed to be installed in a shallow subsurface of the ground (less than 20 ft or 6 m below the grade), which is much shallower than the vertical bores (deeper than 200 ft or 60 m) required for installing conventional vertical bore ground heat exchangers (VBGHE). The UTB consists of a water-filled tank that also contains a phase change material (PCM), which impart the UTB a large thermal storage capacity. A three-dimensional (3D) numerical model has been developed to evaluate the performance of the UTB and to compare it with a conventional VBGHE. The simulation results indicated that a UTB can better regulate the entering water temperature of a ground source heat pump (GSHP) for more efficient operation than a conventional VBGHE under short-term high thermal load conditions. In addition, the UTB can make more effective use of PCMs compared with using PCMs to replace the conventional grouting material in a VBGHE.

42 ENGINEERING↗
DOE OSTI2014

PTEN overexpression improves cisplatin-resistance of human ovarian cancer cells through upregulating KRT10 expression

Highlights: • Overexpression of PTEN enhanced the sensitivity of C13K cells to cisplatin. • KRT10 is a downstream molecule of PTEN involved in the resistance-reversing effect. • Overexpression of KRT10 enhanced the chemosensitivity of C13K cells to cisplatin. - Abstract: Multi-drug resistance (MDR) is a common cause of the failure of chemotherapy in ovarian cancer. PTEN, a tumor suppressor gene, has been demonstrated to be able to reverse cisplatin-resistance in ovarian cancer cell line C13K. However, the downstream molecules of PTEN involved in the resistance-reversing effect have not been completely clarified. Therefore, we screened the downstream molecules of PTEN and studied their interactions in C13K ovarian cancer cells using a 3D culture model. Firstly, we constructed an ovarian cancer cell line stably expressing PTEN, C13K/PTEN. MTT assay showed that overexpression of PTEN enhanced the sensitivity of C13K cells to cisplatin, but not to paclitaxel. Then we examined the differently expressed proteins that interacted with PTEN in C13K/PTEN cells with or without cisplatin treatment by co-immunoprecipitation. KRT10 was identified as a differently expressed protein in cisplatin-treated C13K/PTEN cells. Further study confirmed that cisplatin could induce upregulation of KRT10 mRNA and protein in C13K/PTEN cells and there was a directly interaction between KRT10 and PTEN. Forced expression of KRT10 in C13K cells also enhanced cisplatin-induced proliferation inhibition and apoptosis of C13K cells. In addition, KRT10 siRNA blocked cisplatin-induced proliferation inhibition of C13K/PTEN cells. In conclusion, our data demonstrate that KRT10 is a downstream molecule of PTEN which improves cisplatin-resistance of ovarian cancer and forced KRT10 overexpression may also act as a therapeutic method for overcoming MDR in ovarian cancer.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Balanced Fast-SpaciMS capillary configurations provide practically noninvasive channel-average measurements in catalytic monoliths

Spatially resolved capillary-inlet mass spectrometry (SpaciMS) provides a detailed picture of the spatiotemporal evolution of reaction network in catalytic monoliths. In the present work, we combine the SpaciMS experiments with a newly developed non-isothermal 3D CFD model for heterogeneously catalyzed reactive flows, including diffusion and permeation through the coated catalyst and channel wall. We explore how the capillary size and sampling rate can be balanced to minimize the impact on probed-channel conversions and provide species concentration measurements representative of the free channel average. In all studied configurations, the balanced sampling-rate fraction is noticeably higher than the corresponding capillary occlusion fraction. For a typical 350-micron capillary that occupies 11% of the channel cross- section, the balanced sampling rate represents 43% of the channel flow. Furthermore, the present work shows that together, a balanced SpaciMS configuration and numerical simulation provide accurate channel-averaged information of a monolithic catalyst under realistic operation conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗