Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “enhanced 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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Integration and Demonstration of Monitoring, Modeling, and Prediction of DV-1 Amendment Performance at the Bench Scale: DV-1 Amendment Demonstration

During fiscal years 2024 and 2025, the U.S. Department of Energy’s Hanford Field Office commissioned Pacific Northwest National Laboratory to conduct applied research aimed at reducing the cost, time, and uncertainty associated with in situ treatment of vadose zone contaminants at the Hanford Site. This report outlines the integration of three key research efforts into a meso-scale demonstration designed to advance field-scale solutions that aim to (1) optimize the delivery of chemical amendments to contaminated soils, (2) reduce uncertainty in amendment delivery performance assessment using advanced monitoring techniques, and (3) provide real-time insights into when and where amendment-induced precipitation reactions occur in the subsurface. To achieve these objectives, the tank-scale (~ 1 cubic meter) Geophysical Imaging of Flow and Transport (GIFT) system was developed. GIFT enables experimental testing of amendment delivery while incorporating automated multi-modal monitoring approaches, including pressure measurements, direct fluid sampling, and remote time-lapse geophysical imaging. The data generated from these monitoring techniques will serve as inputs for a generative artificial-intelligence-driven digital twin – a numerical simulation model designed to honor observed data while quantifying uncertainty in simulation accuracy. Using this simulator, researchers will refine an amendment injection strategy to maximize delivery efficiency within a low-permeability soil zone. Monitoring data will be interpreted through simulated outputs to enhance understanding of the injection process. The efficacy of this integrated approach will be evaluated through direct sampling at the conclusion of the experiment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

On the Luminescence Enhancement of Mn2+ By Co-doping of Eu2+ in ZnS:Mn,Eu

The photoluminescence and X-ray luminescence of ZnS:Mn, ZnS:Mn,Eu and ZnS:Eu were investigated and it was found that the luminescence intensity of Mn2+ in ZnS:Mn,Eu co-doped phosphors is highly dependent on the doping concentration of Eu2+. At the optimized Eu2+concentration (0.2%), the photoluminescence of Mn2+ shows about a 5.5 times enhancement and its X-ray luminescence is enhanced by a factor of 2.5. Both wurtzite and zinc blend phases are present in the samples with wurtzite phase dominant. Co-doping of Eu2+ into ZnS:Mn does not change appreciably the ratio of the two phases or the Mn2+ emission luminescence lifetime; however, the doping of Eu2+ into ZnS:Mn does change the phonon activity. Furthermore, it was found that the defect-related blue emission of ZnS:Eu overlaps with the excitation bands of Mn2+ in ZnS:Mn and there is likely energy transfer from these defect states to Mn2+ in ZnS:Mn,Eu. This energy transfer and the phonon modification are considered to be the two main reasons for the luminescence enhancement and the intensity dependence of Mn2+ emission on Eu2+ doping concentration in ZnS:Mn,Eu.

decay Lifetime↗
NASA NTRS2017

Research-Grade 3D Virtual Astromaterials Samples: Novel Visualization of NASA's Apollo Lunar Samples and Antarctic Meteorite Samples to Benefit Curation, Research, and Education

NASA's vast and growing collections of astromaterials are both scientifically and culturally significant, requiring unique preservation strategies that need to be recurrently updated to contemporary technological capabilities and increasing accessibility demands. New technologies have made it possible to advance documentation and visualization practices that can enhance conservation and curation protocols for NASA's Astromaterials Collections. Our interdisciplinary team has developed a method to create 3D Virtual Astromaterials Samples (VAS) of the existing collections of Apollo Lunar Samples and Antarctic Meteorites. Research-grade 3D VAS will virtually put these samples in the hands of researchers and educators worldwide, increasing accessibility and visibility of these significant collections. With new sample return missions on the horizon, it is of primary importance to develop advanced curation standards for documentation and visualization methodologies.

Blumenfeld, E. H.↗
DOE OSTI2012

ASSESSING THE SIGNIFICANCE OF APPARENT CORRELATIONS BETWEEN RADIO AND GAMMA-RAY BLAZAR FLUXES

Whether or not a correlation exists between the radio and gamma-ray flux densities of blazars is a long-standing question, and one that is difficult to answer confidently because of various observational biases, which may either dilute or apparently enhance any intrinsic correlation between radio and gamma-ray luminosities. We introduce a novel method of data randomization to evaluate quantitatively the effect of these biases and to assess the intrinsic significance of an apparent correlation between radio and gamma-ray flux densities of blazars. The novelty of the method lies in a combination of data randomization in luminosity space (to ensure that the randomized data are intrinsically, and not just apparently, uncorrelated) and significance assessment in flux space (to explicitly avoid Malmquist bias and automatically account for the limited dynamical range in both frequencies). The method is applicable even to small samples that are not selected with strict statistical criteria. For larger samples we describe a variation of the method in which the sample is split in redshift bins, and the randomization is applied in each bin individually; this variation is designed to yield the equivalent to luminosity-function sampling of the underlying population in the limit of very large, statistically complete samples. We show that for a smaller number of redshift bins, the method yields a worse significance, and in this way it is conservative: although it may fail to confirm an existing intrinsic correlation in a small sample that cannot be split into many redshift bins, it will not assign a stronger, artificially enhanced significance. We demonstrate how our test performs as a function of number of sources, strength of correlation, and number of redshift bins used, and we show that while our test is robust against common-distance biases and associated false positives for uncorrelated data, it retains the power of other methods in rejecting the null hypothesis of no correlation for correlated data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Sol-gel synthesize and characterization of χGd2Ti2O7/SiO2 photocatalyst for ofloxacin decomposition

Highlights: • The surface of SiO{sub 2} sphere is coated with a rough layer of Gd{sub 2}Ti{sub 2}O{sub 7}. • Many physico-chemical properties of Gd{sub 2}Ti{sub 2}O{sub 7} are modified to enhance its activity. • The 30%Gd{sub 2}Ti{sub 2}O{sub 7}/SiO{sub 2} sample has the optimal photocatalytic activity. - Abstract: Gd{sub 2}Ti{sub 2}O{sub 7} was loaded on the surface of quartz spheres by a sol-gel method. The Gd{sub 2}Ti{sub 2}O{sub 7} maintains the pyrochlore phase after loading. Dispersion of Gd{sub 2}Ti{sub 2}O{sub 7} on the SiO{sub 2} spheres reduces crystallite size of Gd{sub 2}Ti{sub 2}O{sub 7}. The surface of SiO{sub 2} sphere is coated with a rough layer of Gd{sub 2}Ti{sub 2}O{sub 7}. The band gap energy of the χGd{sub 2}Ti{sub 2}O{sub 7}/SiO{sub 2} constantly increases with decreasing Gd{sub 2}Ti{sub 2}O{sub 7} loading content, ranging from 3.35 eV to 3.71 eV. The porous structure in the χGd{sub 2}Ti{sub 2}O{sub 7}/SiO{sub 2} composite mainly comes from the Gd{sub 2}Ti{sub 2}O{sub 7} layer. The maximum BET surface area and total pore volume are even larger than that of the unloaded Gd{sub 2}Ti{sub 2}O{sub 7}. The hydroxyl radical generation efficiency during illumination is enhanced after loading Gd{sub 2}Ti{sub 2}O{sub 7} on SiO{sub 2}. The 30%Gd{sub 2}Ti{sub 2}O{sub 7}/SiO{sub 2} sample has the optimal photocatalytic activity. 65.6% of the initial ofloxacin can be decomposed on 30%Gd{sub 2}Ti{sub 2}O{sub 7}/SiO{sub 2} after 30 min of UV light irradiation, as compared to 24.1% on the unloaded Gd{sub 2}Ti{sub 2}O{sub 7}.

36 MATERIALS SCIENCE↗
NASA NTRS1990

FIR statistics of paired galaxies

Much progress has been made in understanding the effects of interaction on galaxies (see reviews in this volume by Heckman and Kennicutt). Evidence for enhanced emission from galaxies in pairs first emerged in the radio (Sulentic 1976) and optical (Larson and Tinsley 1978) domains. Results in the far infrared (FIR) lagged behind until the advent of the Infrared Astronomy Satellite (IRAS). The last five years have seen numerous FIR studies of optical and IR selected samples of interacting galaxies (e.g., Cutri and McAlary 1985; Joseph and Wright 1985; Kennicutt et al. 1987; Haynes and Herter 1988). Despite all of this work, there are still contradictory ideas about the level and, even, the reality of an FIR enhancement in interacting galaxies. Much of the confusion originates in differences between the galaxy samples that were studied (i.e., optical morphology and redshift coverage). Here, the authors report on a study of the FIR detection properties for a large sample of interacting galaxies and a matching control sample. They focus on the distance independent detection fraction (DF) statistics of the sample. The results prove useful in interpreting the previously published work. A clarification of the phenomenology provides valuable clues about the physics of the FIR enhancement in galaxies.

Sulentic, Jack W.↗
DOE OSTI2020

Selective NMR observation of the SEI–metal interface by dynamic nuclear polarisation from lithium metal

While lithium metal represents the ultimate high-energy-density battery anode material, its use is limited by dendrite formation and associated safety risks, motivating studies of the solid–electrolyte interphase layer that forms on the lithium, which is key in controlling lithium metal deposition. Dynamic nuclear polarisation enhanced NMR can provide important structural information; however, typical exogenous dynamic nuclear polarisation experiments, in which organic radicals are added to the sample, require cryogenic sample cooling and are not selective for the interface between the metal and the solid–electrolyte interphase. Here we instead exploit the conduction electrons of lithium metal to achieve an order of magnitude hyperpolarisation at room temperature. We enhance the 7 Li, 1 H and 19 F NMR spectra of solid–electrolyte interphase species selectively, revealing their chemical nature and spatial distribution. These experiments pave the way for more ambitious room temperature in situ dynamic nuclear polarisation studies of batteries and the selective enhancement of metal–solid interfaces in a wider range of systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Quantum imaging with positronium-decay-emitted gamma rays

The use of entangled gamma rays from positronium decay for quantum-enhanced imaging of dense materials is demonstrated. Quantum ghost images, where only one of the entangled 511-keV photons interacts with the object, are obtained for tantalum samples of varying density using a 210-ps time-resolution dual detector system and a Na-22 positron source. An analysis comparing both classical and quantum imaging modalities is employed to isolate true 511-keV events from background noise. Image quality is quantitatively assessed using transmission ratios and the Michelson contrast. Quantum-correlated images are found to exhibit superior (up to approximately 1.7x, from 0.49 to 0.83 in the thickest sample measured) contrast compared to classical methods and align well with theoretical expectations. These results suggest that quantum ghost imaging with positronium-based entangled gamma rays could significantly enhance noninvasive imaging of high-density objects, with potential applications in areas such as cargo inspection and security screening.

36 MATERIALS SCIENCE↗
DOE OSTI2018

High Thermoelectric Performance in Polycrystalline SnSe Via Dual-Doping with Ag/Na and Nanostructuring With Ag 8 SnSe 6

Single crystalline SnSe is one of the most intriguing new thermoelectric materials but the thermoelectric performance of polycrystalline SnSe seems to lag significantly compared to that of a single crystal. Here an effective strategy for enhancing the thermoelectric performance of p-type polycrystalline SnSe by Ag/Na dual-doping and Ag 8 SnSe 6 (STSe) nanoprecipitates is reported. The Ag/Na dual-doping leads to a two orders of magnitude increase in carrier concentration and a convergence of valence bands (VBM1 and VBM5), which in turn results in sharp enhancement of electrical conductivities and high Seebeck coefficients in the Ag/Na dual-doped samples. Additionally, the SnSe matrix becomes nanostructured with dispersed nanoprecipitates of the compound Ag 8 SnSe 6 , which further strengthens the scattering of phonons. Specifically, ≈20% reduction in the already ultralow lattice thermal conductivity is realized for the Sn 0.99 Na 0.01 Se–STSe sample at 773 K compared to the thermal conductivity of pure SnSe. Consequently, a peak thermoelectric figure of merit ZT of 1.33 at 773 K with a high average ZT (ZT ave ) value of 0.91 (423–823 K) is achieved for the Sn 0.99 Na 0.01 Se–STSe sample.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enhanced Selectivity and Stability of Finned Ferrierite Catalysts in Butene Isomerization

Abstract Designing zeolite catalysts with improved mass transport properties is crucial for restrictive networks of either one‐ or two‐dimensional pore topologies. Here, we demonstrate the synthesis of finned ferrierite (FER), a commercial zeolite with two‐dimensional pores, where protrusions on crystal surfaces behave as pseudo nanoparticles. Catalytic tests of 1‐butene isomerization reveal a 3‐fold enhancement of catalyst lifetime and an increase of 12 % selectivity to isobutene for finned samples compared to corresponding seeds. Electron tomography was used to confirm the identical crystallographic registry of fins and seeds. Time‐resolved titration of Brønsted acid sites confirmed the improved mass transport properties of finned ferrierite compared to conventional analogues. These findings highlight the advantages of introducing fins through facile and tunable post‐synthesis modification to impart material properties that are otherwise unattainable by conventional synthesis methods.

Dai, Heng↗
DOE OSTI2021

Enhanced Selectivity and Stability of Finned Ferrierite Catalysts in Butene Isomerization

Designing zeolite catalysts with improved mass transport properties is crucial for restrictive networks of either one- or two-dimensional pore topologies. In this paper we demonstrate the synthesis of finned ferrierite (FER), a commercial zeolite with two-dimensional pores, where protrusions on crystal surfaces behave as pseudo nanoparticles. Catalytic tests of 1-butene isomerization reveal a 3-fold enhancement of catalyst lifetime and an increase of 12 % selectivity to isobutene for finned samples compared to corresponding seeds. Electron tomography was used to confirm the identical crystallographic registry of fins and seeds. Time-resolved titration of Brønsted acid sites confirmed the improved mass transport properties of finned ferrierite compared to conventional analogues. These findings highlight the advantages of introducing fins through facile and tunable post-synthesis modification to impart material properties that are otherwise unattainable by conventional synthesis methods.

2D zeolite↗
DOE OSTI2018

Nitrogen enrichment suppresses other environmental drivers and homogenizes salt marsh leaf microbiome

Microbial community assembly is affected by a combination of forces that act simultaneously, but the mechanisms underpinning their relative influences remain elusive. This gap strongly limits our ability to predict human impacts on microbial communities and the processes they regulate. Here, we experimentally demonstrate that increased salinity stress, food web alteration and nutrient loading interact to drive outcomes in salt marsh fungal leaf communities. Both salinity stress and food web alterations drove communities to deterministically diverge, resulting in distinct fungal communities. Increased nutrient loads, nevertheless, partially suppressed the influence of other factors as determinants of fungal assembly. Using a null model approach, we found that increased nutrient loads enhanced the relative importance of stochastic over deterministic divergent processes; without increased nutrient loads, samples from different treatments showed a relatively (deterministic) divergent community assembly whereas increased nutrient loads drove the system to more stochastic assemblies, suppressing the effect of other treatments. These results demonstrate that common anthropogenic modifications can interact to control fungal community assembly. As a result, our results suggest that when the environmental conditions are spatially heterogeneous (as in our case, caused by specific combinations of experimental treatments), increased stochasticity caused by greater nutrient inputs can reduce the importance of deterministic filters that otherwise caused divergence, thus driving to microbial community homogenization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Cryogenic Treatment of CoCrFeMnNi(NbC) High-Entropy Alloys

The effect of cryogenic treatment on the microstructure and mechanical properties of CoCrFeMnNi and CoCrFeMnNi(NbC) high-entropy alloys was investigated during annealing. The heat-treated samples were characterized by optical microscopy, scanning electron microscopy–wavelength-dispersive x-ray spectroscopy, x-ray diffraction technique, differential scanning calorimetry, Vickers hardness testing and tensile testing. The results showed a single-phase FCC crystal structure matrix in both alloys during cryogenic treatment and annealing. Cryogenic treatment altered the recrystallization behavior of CoCrFeMnNi high-entropy alloy, while it did not influence the recrystallization of CoCrFeMnNi(NbC) high-entropy alloy. It was also found that cryogenic treatment changed the precipitation behavior of CoCrFeMnNi(NbC) high-entropy alloy during annealing. In both studied high-entropy alloys, the mechanical testing indicated that the cryogenic treatment can effectively reduce the yield strength of cold-rolled samples after annealing. This was primarily attributed to the effect of cryogenic treatment in enhancing crystalline defects annihilation. Furthermore, the cryogenic treatment increased the ultimate tensile strength of CoCrFeMnNi(NbC). A lager plastic deformation and precipitates were considered as the main reasons for the higher ultimate tensile strength.

36 MATERIALS SCIENCE↗
DOE OSTI2013

CO2 sequestration potential of Charqueadas coal field in Brazil

Although coal is not the primary source of energy in Brazil there is growing interest to evaluate the potential of coal from the south of the country for various activities. The I2B coal seamin the Charqueadas coal field has been considered a target for enhanced coal bed methane production and CO2 sequestration. A detailed experimental study of the samples from this seam was conducted at the NETL with assistance from the Pontif?cia Universidade Cat?lica Do Rio Grande Do Sul. Such properties as sorption capacity, internal structure of the samples, porosity and permeability were of primary interest in this characterization study. The samples used were low rank coals (high volatile bituminous and sub-bituminous) obtained from the I2B seam. It was observed that the temperature effect on adsorption capacity correlates negatively with as-received water and mineral content. Langmuir CO2 adsorption capacity of the coal samples ranged 0.61?2.09 mmol/g. The upper I2B seam appears to be overall more heterogeneous and less permeable than the lower I2B seam. The lower seam coal appears to have a large amount of micro-fractures that do not close even at 11 MPa of confining pressure.

Romanov, V↗
DOE OSTI2012

Preparation of {l_brace}0 1 0{r_brace}-faceted anatase TiO{sub 2} nanocuboids from peroxotitanium complex solution

{l_brace}0 1 0{r_brace}-faceted anatase TiO{sub 2} nanocuboids have been fabricated by hydrothermal route using peroxotitanium complex solution as precursor. The effects of reaction time, the amount of urea and temperature on the formation of {l_brace}0 1 0{r_brace}-faceted anatase TiO{sub 2} were characterized by XRD, FESEM and TEM. The growth mechanism of nanocuboids was proposed that the nanocuboids were formed by the transition from H{sub 2}Ti{sub 2}O{sub 5}{center_dot}H{sub 2}O phase to anatase TiO{sub 2} in the basic condition. The photocatalytic performance of the prepared samples was tested in the degradation of Rhodamine B and the anatase nanocuboids exhibited enhanced photocatalytic activity compared with the standard P25 powders. - Graphical abstract: Anatase TiO{sub 2} nanocuboids with exposed {l_brace}0 1 0{r_brace} facets prepared by a hydrothermal method exhibit superior photocatalytic activity for degradation Rhodamine B to P25. Highlights: Black-Right-Pointing-Pointer One-step route to prepare {l_brace}0 1 0{r_brace}-faceted anatase TiO{sub 2} nanocrystal is developed. Black-Right-Pointing-Pointer Control synthesis of {l_brace}0 1 0{r_brace}-faceted anatase nanocuboids. Black-Right-Pointing-Pointer Mechanism on formation of anatase nanocuboids under hydrothermal condition. Black-Right-Pointing-Pointer The enhanced photocatalytic reactivity of nanocuboids is attributed to reactive facets.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Highly uniform YF{sub 3}:Ln{sup 3+} (Ln = Ce{sup 3+}, Tb{sup 3+}) walnut-like microcrystals: Hydrothermal synthesis and luminescent properties

Graphical abstract: The emission spectra of Y{sub 0.98−x}F{sub 3}:0.02Ce{sup 3+}, xTb{sup 3+} microcrystals with different Tb{sup 3+} concentrations demonstrated that energy transfer from the Ce{sup 3+} and Tb{sup 3+} ions is highly efficient. The concentration quenching phenomenon occurs when the x = 0.13. We have discussed it in detail based on experiments and quantitative calculations. Highlights: ► YF{sub 3}:Ce{sup 3+}, Tb{sup 3+} walnut-like microcrystals were prepared by a hydrothermal synthesis. ► The optical properties of YF{sub 3}:Ce{sup 3+}, Tb{sup 3+} phosphors have been investigated in detail. ► The energy transfer distance and efficiency from Ce{sup 3+} to Tb{sup 3+} ions were calculated. ► The dipole–dipole interaction should be the dominant mechanism for energy transfer. - Abstract: Uniform and well-crystallized YF{sub 3} walnut-like microcrystals were prepared by a facile one-step hydrothermal synthesis. The crystalline phase, size, morphology, and luminescence properties were characterized using powder X-ray diffraction (XRD), field emission-scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), photoluminescence (PL) and photoluminescent excitation spectra (PLE). The results revealed that the existence of Ce{sup 3+} (sensitizer) can dramatically enhance green emission centered at 545 nm of Tb{sup 3+} (activator) in codoped samples due to an efficient energy transfer from Ce{sup 3+} to Tb{sup 3+}. The critical energy transfer distance between Ce{sup 3+} and Tb{sup 3+} was also calculated by methods of concentration quenching and spectral overlapping. Experimental analysis and theoretical calculations indicated that the dipole–dipole interaction should be the dominant mechanism for the Ce{sup 3+}–Tb{sup 3+} energy transfer.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Room-temperature solid state synthesis of ZnO/Bi{sub 2}O{sub 3} heterojunction and their solar light photocatalytic performance

Highlights: • ZnO/Bi{sub 2}O{sub 3} hierarchical nanostructures were synthesized via a solid-state reaction. • The amount of Bi{sub 2}O{sub 3} plays an important role in controlling the morphology. • The amount of Bi{sub 2}O{sub 3} plays an important role in controlling the photocatalysis. - Abstract: ZnO/Bi{sub 2}O{sub 3} heterojunction was prepared by solid state reaction method at room temperature. The as-prepared nanostructures were characterized as the assembled nanosheets of ZnO on which Bi{sub 2}O{sub 3} nanoparticles were well dispersed. Further studies revealed that the morphology and photocatalytic property could be regulated by tuning the amount of Bi{sub 2}O{sub 3}. The introduction of Bi{sub 2}O{sub 3} can lead to the enhancement of solar light absorption, and the 5% ZnO/Bi{sub 2}O{sub 3} samples exhibited the best photocatalytic activity under the solar light irradiation. The excellent photocatalytic performances could be ascribed to the synergistic effects of the hierarchical nanostructures and the effective separation of photogenerated carriers. Moreover, the hydroxyl radicals (·OH) are found to be the main active species generated in the oxidation reaction of RhB over ZnO/Bi{sub 2}O{sub 3} photocatalyst. Therefore, our work demonstrated a facile way to prepare hierarchical nanostructures with excellent photocatalytic performance using solid state method at room temperature.

36 MATERIALS SCIENCE↗