Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Importance sampling”

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.

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

At least 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Microbial Communities across Global Marine Basins Show Important Compositional Similarities by Depth

The environmental surveys following the 2010 Deepwater Horizon (DWH) spill identified a variety of hydrocarbon-degrading microorganisms, and laboratory studies with field-collected water samples then demonstrated faster-than-expected hydrocarbon biodegradation rates at 5°C. Knowledge about microbial community composition, diversity, and functional metabolic capabilities aids in understanding and predicting petroleum biodegradation by microbial communities in situ and is therefore an important component of the petroleum spill response decision-making process. This study investigates the taxonomic composition of microbial communities in six different global basins where petroleum and gas activities occur. Shallow-water communities were strikingly similar across basins, while deep-water communities tended to show subclusters by basin, with communities from the epipelagic, mesopelagic, and bathypelagic zones sometimes appearing within the same cluster. Microbial taxa that were enriched in the water column in the Gulf of Mexico following the DWH spill were found across marine basins. Several hydrocarbon-degrading genera (e.g., Actinobacteria, Pseudomonas, and Rhodobacteriacea) were common across all basins. Other genera such as Pseudoalteromonas and Oleibacter were highly enriched in specific basins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

XXL-HSC: An updated catalogue of high-redshift ( z ≥ 3.5) X-ray AGN in the XMM-XXL northern field

X-rays offer a reliable method to identify active galactic nuclei (AGNs). However, in the high-redshift Universe, X-ray AGNs are poorly sampled due to their relatively low space density and the small areas covered by X-ray surveys. In addition to wide-area X-ray surveys, it is important to have deep optical data in order to locate the optical counterparts and determine their redshifts. Here, in this work, we built a high-redshift (z ≥ 3.5) X-ray-selected AGN sample in the XMM-XXL northern field using the most updated [0.5–2 keV] catalogue along with a plethora of new spectroscopic and multi-wavelength catalogues, including the deep optical Subaru Hyper Suprime-Cam (HSC) data, reaching magnitude limits i ~ 26 mag. We selected all the spectroscopically confirmed AGN and complement this sample with high-redshift candidates that are HSC g- and r-band dropouts. To confirm the dropouts, we derived their photometric redshifts using spectral energy distribution techniques. We obtained a sample of 54 high-z sources (28 with spec-z), the largest in this field so far (almost three times larger than in previous studies), and we estimated the possible contamination and completeness. We calculated the number counts (log N-log S) in different redshift bins and compared our results with previous studies and models. We provide the strongest high-redshift AGN constraints yet at bright fluxes (f 0.5 – 2 keV > 10 –15 erg s –1 cm –2 ). The samples of z ≥ 3.5, z ≥ 4, and z ≥ 5 are in agreement with an exponential decline model similar to that witnessed at optical wavelengths. Our work emphasises the importance of using wide-area X-ray surveys with deep optical data to uncover high-redshift AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Microscale mechanical modeling of deformable geomaterials with dynamic contacts based on the numerical manifold method

Abstract Micromechanical modeling of geomaterials is challenging because of the complex geometry of discontinuities and potentially large number of deformable material bodies that contact each other dynamically. In this study, we have developed a numerical approach for micromechanical analysis of deformable geomaterials with dynamic contacts. In our approach, we detect contacts among multiple blocks with arbitrary shapes, enforce different contact constraints for three different contact states of separated, bonded, and sliding, and iterate within each time step to ensure convergence of contact states. With these features, we are able to simulate the dynamic contact evolution at the microscale for realistic geomaterials having arbitrary shapes of grains and interfaces. We demonstrate the capability with several examples, including a rough fracture with different geometric surface asperity characteristics, settling of clay aggregates, compaction of a loosely packed sand, and failure of an intact marble sample. With our model, we are able to accurately analyze (1) large displacements and/or deformation, (2) the process of high stress accumulated at contact areas, (3) the failure of a mineral cemented rock samples under high stress, and (4) post-failure fragmentation. The analysis highlights the importance of accurately capturing (1) the sequential evolution of geomaterials responding to stress as motion, deformation, and high stress; (2) large geometric features outside the norms (such as large asperities and sharp corners) as such features can dominate the micromechanical behavior; and (3) different mechanical behavior between loosely packed and tightly packed granular systems.

58 GEOSCIENCES↗
DOE OSTI2019

Effect of Combined Torsion and Tension on the Microstructure and Fracture Behavior of 316L Austenitic Stainless Steel

In this study, the microstructure evolution and fracture behavior of 316L austenitic stainless steel (ASS) deformed by torsion–tension at room temperature was systematically investigated. During combined tension and torsion, the grain size was refined with increasing shear strain. In addition, the microtexture exhibited a preferred orientation with increasing shear stress. The metastable austenite underwent phase transition when the shear stress increased. The shear stress affected the fracture morphology, and dimples with different sizes and depths were observed for different pre-torsions. The dislocation density increased significantly owing to severe shear deformation. In addition, the dislocation structure evolved and subgrains appeared with the accumulation of shear strain during this combined deformation. The result showed that pre-torsion deformation plays an important role in improving the comprehensive performance and controlling the microstructure evolution of the sample subjected to tension deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Lactic acid delays the inflammatory response of human monocytes

Lactic acid (LA) accumulates under inflammatory conditions, e.g. in wounds or tumors, and influences local immune cell functions. We previously noted inhibitory effects of LA on glycolysis and TNF secretion of human LPS-stimulated monocytes. Here, we globally analyze the influence of LA on gene expression during monocyte activation. To separate LA-specific from lactate- or pH-effects, monocytes were treated for one or four hours with LPS in the presence of physiological concentrations of LA, sodium lactate (NaL) or acidic pH. Analyses of global gene expression profiles revealed striking effects of LA during the early stimulation phase. Up-regulation of most LPS-induced genes was significantly delayed in the presence of LA, while this inhibitory effect was attenuated in acidified samples and not detected after incubation with NaL. LA targets included genes encoding for important monocyte effector proteins like cytokines (e.g. TNF and IL-23) or chemokines (e.g. CCL2 and CCL7). LA effects were validated for several targets by quantitative RT-PCR and/or ELISA. Further analysis of LPS-signaling pathways revealed that LA delayed the phosphorylation of protein kinase B (AKT) as well as the degradation of IκBα. Consistently, the LPS-induced nuclear accumulation of NFκB was also diminished in response to LA. These results indicate that the broad effect of LA on gene expression and function of human monocytes is at least partially caused by its interference with immediate signal transduction events after activation. This mechanism might contribute to monocyte suppression in the tumor environment. - Highlights: • Lactic acid broadly delays LPS-induced gene expression in human monocytes. • Expression of important monocyte effector molecules is affected by lactic acid. • Interference of lactic acid with TLR signaling causes the delayed gene expression. • The profound effect of lactic acid might contribute to immune suppression in tumors.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Fabrication of nano structural biphasic materials from phosphogypsum waste and their in vitro applications

Graphical abstract: (a) Schema of the process, (b) TEM of nano particles of biphasic materials and (c) SEM of post-immersion. - Highlights: • Ratio of HA and β-TCP phases were controlled by thermal treatment. • HA partially decomposed into β-TCP with other bioactive phases. • Calcined HA at 900 °C is the best for the bioactivity behavior. - Abstract: In this study, a novel process of preparing biphasic calcium phosphate (BCP) is proposed. Also its bioactivity for the utilization of the prepared BCP as a biomaterial is studied. A mixture of calcium hydroxyapatite (HAP) and tricalcium phosphate (β-TCP) could be obtained by thermal treatment of HAP which was previously prepared from phosphogypsum (PG) waste. The chemical and phase composition, morphology and particle size of prepared samples was characterized by X-ray diffraction (XRD), Infrared spectroscopy (IR), Scanning electron microscopy (SEM) and Transmission electron microscopy (TEM). The bioactivity was investigated by soaking of the calcined samples in simulated body fluid (SBF). Results confirmed that the calcination temperatures played an important role in the formation of calcium phosphate (CP) materials. XRD results indicated that HAP was partially decomposed into β-TCP. The in vitro data confirmed that the calcined HAP forming BCP besides other phases such as pyrophosphate and silica are bioactive materials. Therefore, BCP will be used as good biomaterials for medical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Investigation of potential polyatomic interferences on uranium isotope ratio measurements for the LS-APGD-Orbitrap MS system

The determination of actinide (e.g., U and Pu) content and isotopics is of importance to the nuclear forensics and safeguards communities. However, in the analysis of environmental samples, such as those collected by the International Atomic Energy Agency, uranium measurements can be complicated by isobaric interferences from polyatomic variants of heavy elements (e.g., Pb). This leads to complex, time-consuming sample manipulations (i.e., separations) before determining isotope ratios. An alternative strategy to sample pretreatment is to use high-resolution mass spectrometric platforms during the analysis to fully resolve the uranium isotopes from potential polyatomic interferences, negating the need for prior chemical separation. The liquid sampling - atmospheric pressure glow discharge (LS-APGD) coupled with an Orbitrap mass spectrometer provides a high-resolution (>70,000 m/Δm at m/z 200) inorganic mass spectrometry platform. Further, as a demonstration of the power of this instrumental platform, and indeed, the high-resolution approach in general, uranium isotope ratios were determined in the presence of elemental impurities (e.g., Pb, Pt, Ta, W) commonly encountered with environmental sample swipe analysis, without any prior treatment. Even at elemental impurity concentrations of 1000–5000× relative to uranium, no interference was observed with the 235 U or 238 U signal. In addition, the 235 U/ 238 U isotope ratio for the samples with the concomitants present are within 2 standard deviations of the values obtained without their addition, indicating that these impurities do not impact the determined uranium isotope ratio. These findings represent a significant first step in leveraging the high resolution of the LS-APGD-Orbitrap-MS to overcome isobaric and molecular interferences instead of relying on chemical separations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

Deformation and spallation of a magnesium alloy under high strain rate loading

We investigate deformation and damage of a magnesium alloy, AZ91, under high strain rate (similar to 10(5) s(-1)) loading via planar impact. The soft-recovered specimens are examined with electron back-scatter diffraction (EBSD). EBSD analysis reveals three types of twinning: {1012} extension, {10 (1) over bar1} contraction, and {10 (1) over bar1}-{10 (1) over bar2) double twinning, and their number density increases with increasing impact velocity. The extension twins dominate contraction and double twins in size and number. Dislocation densities of the recovered specimens are evaluated with x-ray diffraction, and increase with increasing impact velocity. X-ray tomography is used to resolve three-dimensional microstructure of shock-recovered samples. The EBSD and tomography results demonstrate that the second phase, Mg17Al12, plays an important role in both deformation twinning and tensile cracking. Deformation twinning appears to be a common mechanism in deformation of magnesium alloys at low, medium and high strain rates, in addition to dislocation motion. (C) 2016 Elsevier B.V. All rights reserved.

EBSD↗
DOE OSTI2016

Transforming properties of Felis catus papillomavirus type 2 E6 and E7 putative oncogenes in vitro and their transcriptional activity in feline squamous cell carcinoma in vivo

Felis catus papillomavirus type 2 (FcaPV2) DNA is found in feline cutaneous squamous cell carcinomas (SCCs); however, its biological properties are still uncharacterized. In this study, we successfully expressed FcaPV2 E6 and E7 putative oncogenes in feline epithelial cells and demonstrated that FcaPV2 E6 binds to p53, impairing its protein level. In addition, E6 and E7 inhibited ultraviolet B (UVB)-triggered accumulation of p53, p21 and pro-apoptotic markers such as Cleaved Caspase3, Bax and Bak, suggesting a synergistic action of the virus with UV exposure in tumour pathogenesis. Furthermore, FcaPV2 E7 bound to feline pRb and impaired pRb levels, resulting in upregulation of the downstream pro-proliferative genes Cyclin A and Cdc2. Importantly, we demonstrated mRNA expression of FcaPV2 E2, E6 and E7 in feline SCC samples, strengthening the hypothesis of a causative role in the development of feline SCC. - Highlights: • FcaPV2 E6 binds to and deregulates feline p53 protein. • FcaPV2 E7 binds to and deregulates feline pRb protein. • FcaPV2 oncogenes inhibit UVB-induced apoptosis. • FcaPV2 E6E7 and E7 increase the lifespan of primary cells. • FcaPV2 E2, E6 and E7 are expressed at the mRNA level in feline SCC in vivo.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Smart Self-Assembled Organic Nanoprobe for Protein-Specific Detection: Design, Synthesis, Application, and Mechanism Studies

Specific detection or imaging protein has high potential to contribute greatly to medical diagnosis, biological research, and therapeutic applications. The level of human serum albumin (HSA) in blood is related to a variety of diseases and thus serves as an important biomarker for fast clinical diagnosis. In this paper we report the use of aggregation-induced emission (AIE) based supramolecular assembly to design biomolecular responsive smart organic nanomaterials for detection protein HSA. The designed nanoprobes were aggregates of small molecules and silent in fluorescence, but in the presence of HSA they disassembled and produced a clear turn-on fluorescent signal. Of a small library of nanoprobes constructed for HSA detection, structure-optical signaling and screening studies revealed that nanoprobe 7 is the most efficient one. Mechanism studies showed that nanoprobe 7 was bonded with Site I of HSA through the multiple noncovalent interactions. The resultant restriction of intramolecular rotation of nanoprobe 7 in the hydrophobic cavity of HSA induced fluorescent emission, which was validated by competitive binding assays and molecular docking. More importantly, nanoprobe 7 was successfully applied to recognize and quantify HSA in human serum samples. This study demonstrates nanoprobe 7 is a promising tool for clinical real and fast detection of HSA and thus may find many applications, and the molecular assembly based on AIE also opens a new avenue for designing smart nanomaterials for the sensitive and selective detection for varied analytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Role of solution structure in self-assembly of conjugated block copolymer thin films

Conjugated block copolymers provide a pathway to achieve thermally stable nanostructured thin films for organic solar cells. We characterized the structural evolution of poly(3-hexylthiophene)- block -poly(diketopyrrolopyrrole–terthiophene) (P3HT- b -DPPT-T) from solution to nanostructured thin films. Aggregation of the DPPT-T block of P3HT- b -DPPT-T was found in solution by small-angle X-ray scattering with the P3HT block remaining well-solvated. The nanostructure in thin films was determined using a combination of wide and small-angle X-ray scattering techniques as a function of processing conditions. The structure in solution controlled the initial nanostructure in spin-cast thin films, allowing subsequent thermal annealing processes to further improve the ordering. In contrast to the results for thin films, nanostructural ordering was not observed in the bulk samples by small-angle X-ray scattering. Finally, these results suggest the importance of controlling solvent induced aggregation in forming nanostructured thin films of conjugated block copolymers.

14 SOLAR ENERGY↗
DOE OSTI2017

Zero-field edge plasmons in a magnetic topological insulator [Zero-field edge magnetoplasmons in a magnetic topological insulator]

Incorporating ferromagnetic dopants into three-dimensional topological insulator thin films has recently led to the realisation of the quantum anomalous Hall effect. These materials are of great interest since they may support electrical currents that flow without resistance, even at zero magnetic field. To date, the quantum anomalous Hall effect has been investigated using low-frequency transport measurements. However, transport results can be difficult to interpret due to the presence of parallel conductive paths, or because additional non-chiral edge channels may exist. Here we move beyond transport measurements by probing the microwave response of a magnetised disk of Cr-(Bi,Sb) 2 Te 3 . We identify features associated with chiral edge plasmons, a signature that robust edge channels are intrinsic to this material system. Finally, our results provide a measure of the velocity of edge excitations without contacting the sample, and pave the way for an on-chip circuit element of practical importance: the zero-field microwave circulator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Code interoperability extends the scope of quantum simulations

The functionality of many materials is critically dependent on the integration of dissimilar components and on the interfaces that arise between them. The description of such heterogeneous components requires the development and deployment of first principles methods, coupled to appropriate dynamical descriptions of matter and advanced sampling techniques, in order to capture all the relevant length and time scales of importance to the materials’ performance. It is thus essential to build simple, streamlined computational schemes for the prediction and design of multiple properties of broad classes of materials, by developing interoperable codes which can be efficiently coupled to each other to perform complex tasks. We discuss the use of interoperable codes to simulate the structural and spectroscopic characterization of materials, including chemical reactions for catalysis, the description of defects for quantum information science, and heat and charge transport.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Progressive transfer learning for advancing machine learning-based reduced-order modeling

Abstract To maximize knowledge transfer and improve the data requirement for data-driven machine learning (ML) modeling, a progressive transfer learning for reduced-order modeling (p-ROM) framework is proposed. A key concept of p-ROM is to selectively transfer knowledge from previously trained ML models and effectively develop a new ML model(s) for unseen tasks by optimizing information gates in hidden layers. The p-ROM framework is designed to work with any type of data-driven ROMs. For demonstration purposes, we evaluate the p-ROM with specific Barlow Twins ROMs (p-BT-ROMs) to highlight how progress learning can apply to multiple topological and physical problems with an emphasis on a small training set regime. The proposed p-BT-ROM framework has been tested using multiple examples, including transport, flow, and solid mechanics, to illustrate the importance of progressive knowledge transfer and its impact on model accuracy with reduced training samples. In both similar and different topologies, p-BT-ROM achieves improved model accuracy with much less training data. For instance, p-BT-ROM with four-parent (i.e., pre-trained models) outperforms the no-parent counterpart trained on data nine times larger. The p-ROM framework is poised to significantly enhance the capabilities of ML-based ROM approaches for scientific and engineering applications by mitigating data scarcity through progressively transferring knowledge.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Growth of very large InN microcrystals by molecular beam epitaxy using epitaxial lateral overgrowth

Very thick InN (∼40 μm) was grown by molecular beam epitaxy using the epitaxial lateral overgrowth (ELO) technique. In some regions, the ELO of InN was observed as expected, indicating an important step toward fabricating quasi-bulk InN substrates. Interestingly, most parts of the sample consist of large flat-topped microcrystals and well-faceted microstructures. This is likely due to local growth condition variations during ELO, which is supported by an experiment where ELO of InN was performed on a substrate with various stripe mask patterns. TEM characterization of a flat top InN microcrystal revealed few stacking faults and only related threading dislocations. Defect-free small faceted microcrystals were also observed. The thick InN crystals show a narrow photoluminescence spectrum with a peak at 0.679 eV and linewidth of 16.8 meV at 4 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Acoustical, morphological and optical properties of oral rehydration salts (ORS)

Ultrasonic velocity, density and viscosity were measured in different concentrations of oral rehydration salts (ORS) at room temperature 303 k. From the experimental data other related thermodynamic parameters, viz adiabatic compressibility, intermolecular free length, acoustic impedence, relaxation time are calculated. The experimental data were discussed in the light of molecular interaction existing in the liquid mixtures. The results have been discussed in terms of solute-solvent interaction between the components. Structural characterization is important for development of new material. The morphology, structure and grain size of the samples are investigated by SEM. The optical properties of the sample have been studied using UV Visible spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Study of perpendicular anisotropy L1{sub 0}-FePt pseudo spin valves using a micromagnetic trilayer model

A trilayer micromagnetic model based on the Landau-Lifshitz-Bloch equation of motion is utilized to study the properties of L1{sub 0}-FePt/TiN/L1{sub 0}-FePt pseudo spin valves (PSVs) in direct comparison with experiment. Theoretical studies give an insight on the crystallographic texture, magnetic properties, reversal behavior, interlayer coupling effects, and magneto-transport properties of the PSVs, in particular, with varying thickness of the top L1{sub 0}-FePt and TiN spacer. We show that morphological changes in the FePt layers, induced by varying the FePt layer thickness, lead to different hysteresis behaviors of the samples, caused by changes in the interlayer and intralayer exchange couplings. Such effects are important for the optimization of the PSVs due to the relationship between the magnetic properties, domain structures, and the magnetoresistance of the device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗