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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Dispersion of the Nonlinear Susceptibility of MoS2 and WS2 from Second-Harmonic Scattering Spectroscopy

Dispersion of the absolute second-order susceptibility of both MoS2 and WS2 is assessed on a wide spectral excitation range (710–1300 nm) by using second-harmonic scattering spectroscopy (SHS). SHS is an accurate ensemble measurement here applied on well-dispersed suspensions of monodisperse liquid-exfoliated nanosheets showing a high monolayer content. The as-derived, high susceptibility values shed light on the discrepancies between available literature values while evidencing resonances associated with the main excitonic transitions.

CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SU↗
DOE OSTI2024

Multitiered computational methodology for extracting three-dimensional rotational diffusion coefficients from x-ray photon correlation spectroscopy data without structural information

X-ray photon correlation spectroscopy (XPCS) is a powerful technique for analyzing particle systems by investigating their dynamics in suspensions across a broad range of temporal and spatial scales. This is done by illuminating samples with coherent x-ray beams and calculating the correlation function of the obtained x-ray scattering images. XPCS is uniquely suited for studying Brownian dynamics, consisting of translational and rotational diffusion. While traditional XPCS image analysis techniques can extract translational diffusion components, they are unable to estimate rotational diffusion coefficients. Here, we introduce a methodology that combines the angular-temporal cross-correlation analysis and a algorithmic framework called Multi-Tiered Estimation for Correlation Spectroscopy in 3D for estimating three-dimensional rotational diffusion coefficients from XPCS images of three-dimensional particle systems. We demonstrate our methodology for extracting rotational diffusion coefficients from XPCS data by applying it to simulated noisy x-ray images of systems of crossing nanotubes and proteins that evolve under translational and rotational Brownian motion for different diffusion rates. Furthermore, our results show that our approach determines rotational diffusion coefficients within a few percent error.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Measurements of attenuation and scattering properties of water-based liquid scintillator

Water-based liquid scintillator (WbLS) is a hybrid detector medium which has been proposed as a fill material for future large-volume rare event searches, including ν − detectors. This family of scintillating suspensions promises waterlike attenuation and scattering behavior, while offering scintillation light yield for sub-Cherenkov-threshold events. These features may allow for improved vertex and energy resolution, and concomitant improvements in background rejection and particle identification. While subscale measurements of light yield, timing and pulse-shape have been performed in several WbLS formulations, detailed measurements of the attenuation and scattering properties of WbLS remain a critical, unresolved step along the pathway to deployment. In pursuit of a better understanding of these parameters, a “long-arm” attenuation and scattering instrument has been developed at Lawrence Livermore National Laboratory, dubbed LASE (Livermore Attenuation and Scattering Experiment). Optical property measurements have been performed using LASE in DI water, Gd-water, WbLS and Gd-WbLS. Measurements of the optical properties of WbLS (1% LAB-PPO scintillator) provided by Brookhaven National Laboratory demonstrate an attenuation minimum of 4.87 × 10 − 4 ± 1.42 × 10 − 4 cm − 1 at 450 nm, while Gd-loaded WbLS (1% LAB-PPO scintillator, 0.1% Gd) demonstrated a minimum attenuation coefficient of 4.77 × 10 − 4 ± 1.27 × 10 − 4 cm − 1 at the same wavelength. Measurements of scattering in WbLS show a scattering coefficient of 3.39 × 10 − 4 ± 1.98 × 10 − 5 cm − 1 at the 450 nm attenuation minimum, while Gd-WbLS has a scattering coefficient of 2.8 × 10 − 4 ± 1.63 × 10 − 5 cm − 1 at that wavelength. These scattering and attenuation coefficients are significantly larger than measured for DI water at similar wavelengths ( 8.8 × 10 − 5 cm − 1 ± 3.8 × 10 − 5 attenuation at 430 nm, 2.2 × 10 − 5 ± 1.28 × 10 − 6 cm − 1 scattering). Though the WbLS attenuation and scattering coefficients measured are lower than the corresponding values published for ultrapure oils and LAB-PPO liquid scintillator, the material tested attenuates significantly more than water across the blue and green portions of the visible spectrum. This attenuation is markedly stronger at wavelengths under 430 nm. Published by the American Physical Society 2025

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Mitigation of turbophoresis in particle-laden turbulent channel flows by using incident electric fields

It is known that the dynamics of particles dispersed in turbulent flows can be significantly altered by electric charges and external electric fields. The next step therefore involves the investigation of whether these electric interactions can be exploited in engineering applications to control processes involving the transport of particles in turbulence. In this study, direct numerical simulations of incompressible turbulent channel flows laden with a positively isocharged suspension of monodisperse small inertial particles are employed to investigate the effect of electric charges carried by the particles on their dispersion, and to illustrate the intentional abatement of turbophoretic effects using incident electric fields. An Eulerian-Lagrangian formulation is employed along with a fast multipole method for the electric potential conveniently corrected with wall boundary conditions. Finally, operating conditions are identified in terms of characteristic dimensionless parameters where an AC electric field applied across the channel walls decreases the time-averaged concentration of particles near the walls by up to two orders of magnitude.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Learning unknown physics of non-Newtonian fluids

Here, we use physics-informed neural networks (PINNs) to learn viscosity models of two non-Newtonian systems (polymer melts and suspensions of particles) using only velocity measurements. For synthetic velocity data generated with the power-law viscosity model, the PINN-inferred viscosity model agrees with the analytical model for shear rates with large absolute values but deviates for shear rates near zero where the analytical model has an unphysical singularity. Once the viscosity model is learned the PINN method can solve the momentum conservation equation using only the boundary conditions.

42 ENGINEERING↗
DOE OSTI2020

Microscopic dynamics of stress relaxation in a nanocolloidal soft glass

Here, we report x-ray photon correlation spectroscopy (XPCS) experiments with in situ rheometry performed on a soft glass composed of a concentrated suspension of charged silica nanoparticles subjected to step strains that induce yielding and flow. The XPCS measurements characterize the particle-scale and mesoscale motions within the glass that underlie the highly protracted decay of the macroscopic stress following the step strains. These dynamics are anisotropic, with slow, convective particle motion along the direction of the preceding shear that persists for surprisingly large times and that is accompanied by intermittent motion in the perpendicular (vorticity) direction. A close correspondence between the convective dynamics and stress relaxation is demonstrated by power-law scaling between the characteristic velocity of the collective particle motion and the rate of stress decay.

36 MATERIALS SCIENCE↗
DOE OSTI2019

3D printed droplet generation devices for serial femtosecond crystallography enabled by surface coating

The role of surface wetting properties and their impact on the performance of 3D printed microfluidic droplet generation devices for serial femtosecond crystallography (SFX) are reported herein. SFX is a novel crystallography method enabling structure determination of proteins at room temperature with atomic resolution using X-ray free-electron lasers (XFELs). In SFX, protein crystals in their mother liquor are delivered and intersected with a pulsed X-ray beam using a liquid jet injector. Owing to the pulsed nature of the X-ray beam, liquid jets tend to waste the vast majority of injected crystals, which this work aims to overcome with the delivery of aqueous protein crystal suspension droplets segmented by an oil phase. For this purpose, 3D printed droplet generators that can be easily customized for a variety of XFEL measurements have been developed. The surface properties, in particular the wetting properties of the resist materials compatible with the employed two-photon printing technology, have so far not been characterized extensively, but are crucial for stable droplet generation. This work investigates experimentally the effectiveness and the long-term stability of three different surface treatments on photoresist films and glass as models for our 3D printed droplet generator and the fused silica capillaries employed in the other fluidic components of an SFX experiment. Finally, the droplet generation performance of an assembly consisting of the 3D printed device and fused silica capillaries is examined. Stable and reproducible droplet generation was achieved with a fluorinated surface coating which also allowed for robust downstream droplet delivery. Experimental XFEL diffraction data of crystals formed from the large membrane protein complex photosystem I demonstrate the full compatibility of the new injection method with very fragile membrane protein crystals and show that successful droplet generation of crystal-laden aqueous droplets intersected by an oil phase correlates with increased crystal hit rates.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning

In this article, an innovative strategy is presented that incorporates deep auto-encoder networks into a least-squares fitting framework to address the potential inversion problem in small-angle scattering. To evaluate the performance of the proposed approach, a detailed case study focusing on charged colloidal suspensions was carried out. The results clearly indicate that a deep learning solution offers a reliable and quantitative method for studying molecular interactions. The approach surpasses existing deterministic approaches with respect to both numerical accuracy and computational efficiency. Overall, this work demonstrates the potential of deep learning techniques in tackling complex problems in soft-matter structures and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fixed-target serial crystallography at the Structural Biology Center

Serial synchrotron crystallography enables the study of protein structures under physiological temperature and reduced radiation damage by collection of data from thousands of crystals. The Structural Biology Center at Sector 19 of the Advanced Photon Source has implemented a fixed-target approach with a new 3D-printed mesh-holder optimized for sample handling. The holder immobilizes a crystal suspension or droplet emulsion on a nylon mesh, trapping and sealing a near-monolayer of crystals in its mother liquor between two thin Mylar films. Data can be rapidly collected in scan mode and analyzed in near real-time using piezoelectric linear stages assembled in an XYZ arrangement, controlled with a graphical user interface and analyzed using a high-performance computing pipeline. Here, the system was applied to two β-lactamases: a class D serine β-lactamase from Chitinophaga pinensis DSM 2588 and L1 metallo-β-lactamase from Stenotrophomonas maltophilia K279a.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Artificial Soiling Replication of Field Losses on Commercial Photovoltaic Modules

Here, this study demonstrates the capabilities of an indoor artificial soiling approach developed to closely replicate the natural, cyclic soil accumulation processes in the field-dust suspension, deposition, and sedimentation/cementation-for a subtropical climate. In this work, a near-field environment is replicated in an artificial soiling cubic chamber through controlled regulation of humidity, temperature, dust type, and dust concentration, based on site-specific historical climate data. Two different models (MA and MB) of full-size commercial photovoltaic modules from a single manufacturer, installed side by side in the mid-Atlantic United States, were retrieved and subjected to artificial soiling experiments and various characterization measurements, including short-circuit current, colorimetry, reflectance, X-ray fluorescence, laser diffraction, and optical microscopy. Both in the field and in our improved field-representative artificial soiling tests, the MA model experienced roughly twice the soiling loss as the MB model. To closely replicate the field soiling losses for a site-specific climate, it is critical to include: 1) The use of field-collected dust with identical dust chemistry and particle distribution instead of standardized ISO 12103 Arizona Road dusts, 2) the use of only a small amount of field-collected dust inside the chamber during the deposition process (e.g., 0.15 g), and 3) the preconditioning of the surface coating for the partial/full dose of UV stress as experienced in the field during sunlight exposure and the abrasion as experienced in the field during regular module cleaning activities, if/as needed. The field-representative artificial soiling method developed here could potentially be adopted for rank ordering of various antisoiling coatings developed by researchers and industry stakeholders.

14 SOLAR ENERGY↗
DOE OSTI2021

Microwave Sensing of Yeast Cell Species and Viability

We report the development of a simple interferometer-based microwave sensing system for multiple frequency characterization and differentiation of in-flow yeast cells. The interferometer uses a simple microstrip line, integrated with a microfluidic channel, for single-cell measurement. An algorithm was developed and verified with high-frequency structure simulator (HFSS) for complex permittivity, ε*( f ) = ε'( f ) - jε"(f), extraction from measured scattering parameters. The sensing system and the algorithm were evaluated by measuring polystyrene particles of different diameters and at different interferometer operating frequencies. Viable and nonviable Saccharomyces cerevisiae and Saccharomyces pastorianus cells were measured at those frequencies. The results showed frequency-dependent permittivity values for each species of yeast and viability as well as frequency-dependent permittivity differences between different yeast types. The differences at some frequency points are significant and enable the differentiation of cells in mixed suspension, which is also demonstrated with a prediction model developed in this work.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The effect of blood viscosity on shear‐induced hemolysis using a magnetically levitated shearing device

Abstract Introduction Blood contacting medical devices, including rotary blood pumps, can cause shear‐induced blood damage that may lead to adverse effects in patients. Due in part to an inadequate understanding of how cell‐scale fluid mechanics impact red blood cell membrane deformation and damage, there is currently not a uniformly accepted engineering model for predicting blood damage caused by complex flow fields within ventricular assist devices (VADs). Methods We empirically investigated hemolysis in a magnetically levitated axial Couette flow device typical of a rotary VAD. The device is able to accurately control the shear rate and exposure time experienced by blood and to minimize the effects of other uncharacterized stresses. Using this device, we explored the effects of both hematocrit and plasma viscosity on shear‐induced hemolysis to characterize blood damage based on the viscosity‐independent shear rate, rather than on shear stress. Results Over a shear rate range of 20 000 – 80 000 1/s, the Index of Hemolysis (IH) was found to be dependent upon and well‐predicted by the shear rate alone. IH was independent of hematocrit, bulk viscosity, or the suspension media viscosity and less correlated to shear stress (MSE = 0.46–0.75) than to shear rate (MSE = 0.06–0.09). Conclusion This study recommends that future investigations of shear‐induced blood damage report findings with respect to the viscosity‐neutral term of shear rate, in addition to the bulk whole blood viscosity measured at an appropriate shear rate relevant to the flow conditions of the device.

Krisher, James A.↗
DOE OSTI2019

Additive Manufacturing of Bi-Continuous Piezocomposites With Triply Periodic Phase Interfaces for Combined Flexibility and Piezoelectricity

An additive manufacturing-enabled bi-continuous piezocomposite architecture is presented to achieve mechanical flexibility and piezoelectricity simultaneously in piezoelectric materials. This architecture comprises an active ferroelectric ceramic phase and a passive flexible polymer phase, which are separated by a tailorable phase interface. Here, triply periodic minimal surfaces were used to define the phase interface, due to their excellent elastic properties and load transfer efficiency. A suspension-enclosing projection-stereolithography process was used to additively manufacture this material. Postprocesses including polymer infiltration, electroding, and poling are introduced. Piezoelectric properties of the piezocomposites are numerically and experimentally studied. The results highlight the role of tailorable triply periodic phase interfaces in promoting mechanical flexibility and piezoelectricity of bi-continuous piezocomposites.

42 ENGINEERING↗
DOE OSTI2024

Recovery of Oxpure 612C-50 Coconut Carbon Particles Using Bump Arrays

Cyanide is used to leach gold from crushed ore (solid matrix) into a gold cyanide solution. The gold is extracted from the cyanide solution by adsorption onto activated carbon. The gold extraction process occurs when the activated coconut carbon is placed into tanks that contain the gold cyanide solution either in a batch process or into a continuous flow circuit. The coconut carbon is then removed from the solution for gold recovery. The use of the mesofluidic separation system (a deterministic lateral displacement system) can significantly reduce costs and waste generated from the process of removing the coconut carbon from the solution. In the coconut carbon recovery process used at many gold mines in Nevada, the gold is attached to carbon particles that are still in the cyanide liquor. The mesofluidic system can rapidly remove the gold bearing carbon particles from the cyanide liquor quickly and with no operating costs. The benefits include: • Reduce operational costs related to filtration and hydro-cyclones • Reduced acid usage for the elution gold stripping phase as only 25% of the fluids will follow the carbon particles to the final express lane when two mesofluidic systems are used in series This alternative particle removal techniques would be advantageous. A promising technique for removing larger particles from slurries is mesofluidic separation, similar to deterministic lateral displacement arrays or “bump” arrays [1] but operates at much larger flow rates. As described by Pease, et al. [2], “Bump arrays in deterministic lateral displacement devices separate large particles from small particles using arrays of staggered posts. Large particles, defined as those with radii larger than the distance between the edge of a post and the stagnation streamline from the next downstream post, must bump toward one side of the device, whereas particles smaller than this distance slalom from entrance to exit without net lateral displacement.” Unlike filters or sieves, the posts in the arrays that cause separation do not block or occlude particle flow but work because particles go around the posts. Unlike hydrocyclones separation, separation is not driven by particle density, because gravitational forces are unimportant to mesofluidic separation. Burns, et al., and Pease, et al., have shown that particles may be separated from complex suspensions, under turbulent flow conditions, and at industrially important flow rates [3-5]. They have also recently shown that mesofluidic devices may be arranged in series to increase separation performance [6]. In this paper, we evaluate the mesofluidic system for the separation of commercial OxPure GR 612 Charred Coconut shell particles as a proof of principle test for the rapid separation using the 1500 micron cut mesofluidic separator. We first describe the experimental system and conditions. We then present the experimental results. [1] Huang, L.R., E.C. Cox, R.H. Austin, J.C. Sturm. 2004. Continuous particle separation through deterministic lateral displacement. Science, 304, 987–990. https://doi.org/10.1126/science.1094567. [2] Pease L.F., J.A. Bamberger, C.A. Burns, and M.J. Minette. 2021. Large Particle Separation from Non-Newtonian Slurries using Bump Arrays. In Proceedings of the ASME 2021 Fluids Engineering Division Summer Meeting FEDSM2021-65904, V003T08A023. New York, New York: ASME. doi:10.1115/FEDSM2021-65904 [3] Burns C.A., T.G. Veldman, J. Serkowski, R.C. Daniel, X.-Y. Yu, M.J. Minette, L.F. Pease. 2021. Mesofluidic separation versus dead-end filtration. Separation and Purification Technology, 254, 117256. https://doi.org/10.1016/j.seppur.2020.117256. [4] Pease L.F., J.E. Serkowski, T.G. Veldman, J. Williams, X.-Y. Yu, M.J. Minette, J.A. Bamberger, C.A. Burns. 2021. Can Bump Arrays Separate Particles from Turbulent Flows?. In Proceedings of the ASME 2021 Fluids Engineering Division Summer Meeting FEDSM2021-67696, V003T08A024. New York, New York: ASME. doi:10.11

mesofluidic separation, slurry, bump array↗
DOE OSTI2024

Critical Shear Stresses for Erosion from Yield Stresses

The critical shear stress for erosion is important in many fields of engineering and science that involve suspension of particles from settled particle beds. However, determining the critical shear stress for erosion remains intricate, particularly where interparticle forces play a key role. Because these forces vary widely (Pease, et al., 2019), a more convenient means of estimating the critical shear stress for erosion would be advantageous. Here we evaluate the assertion that critical shear stresses for erosion may be derived from yield stresses for nominally cohesive particle beds across the full range of particle Reynolds numbers. The critical shear stress for erosion for non-cohesive particle beds may be estimated from the Shields diagrams or the analytical expressions from conservation of force about a particle at the interface. However, equivalent diagrams for cohesive particle beds have remained elusive. In 1992, pioneering analysis by Dade included the influence of the van der Waals force in particle forces balances to show that the critical shear stresses for erosion may be related to yield stresses subject to the limitations of small particle Reynolds numbers, flat particle beds, uniform particle diameters, and negligible electrostatic forces. Here we relax these restrictions. We find that the critical shear stress for erosion does relate to the yield stresses in a linear fashion for sufficiently large yield stresses. A criterion is developed to determine when the yield stresses may be important. Pease LF, AJ Fuher, JA Bamberger, and MJ Minette. 2024. Shields Diagrams for Cohesive Particle Beds. Manuscript. Dade WB, ARM Nowell and PA Jumars. 1992. “Predicting erosion resistance of muds.” Marine Geology, 105 (1992) 285-297.

shear stress, erosion, yield stress, slurry, settl↗
DOE OSTI2021

Self-organization of nanoparticles and molecules in periodic Liesegang-type structures

Chemical organization in reaction-diffusion systems offers a strategy for the generation of materials with ordered morphologies and structural hierarchy. Periodic structures are formed by either molecules or nanoparticles. On the premise of new directing factors and materials, an emerging frontier is the design of systems in which the precipitation partners are nanoparticles and molecules. We show that solvent evaporation from a suspension of cellulose nanocrystals (CNCs) and L -(+)-tartaric acid [ L -(+)-TA] causes phase separation and precipitation, which, being coupled with a reaction/diffusion, results in rhythmic alternation of CNC-rich and L -(+)-TA–rich rings. The CNC-rich regions have a cholesteric structure, while the L -(+)-TA–rich bands are formed by radially aligned elongated bundles. The moving edge of the pattern propagates with a finite constant velocity, which enables control of periodicity by varying film preparation conditions. This work expands knowledge about self-organizing reaction-diffusion systems and offers a strategy for the design of self-organizing materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Biomineralization of Cu 2 S Nanoparticles by Geobacter sulfurreducens

Biomineralization of Cu has been shown to control contaminant dynamics and transport in soils. However, very little is known about the role that subsurface microorganisms may play in the biogeochemical cycling of Cu. In this study, we investigate the bioreduction of Cu(II) by the subsurface metal-reducing bacterium Geobacter sulfurreducens. Rapid removal of Cu from solution was observed in cell suspensions of G. sulfurreducens when Cu(II) was supplied, while transmission electron microscopy (TEM) analyses showed the formation of electron-dense nanoparticles associated with the cell surface. Energy-dispersive X-ray spectroscopy (EDX) point analysis and EDX spectrum image maps revealed that the nanoparticles are rich in both Cu and S. This finding was confirmed by X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) analyses, which identified the nanoparticles as Cu 2 S. Biomineralization of Cu x S nanoparticles in soils has been reported to enhance the colloidal transport of a number of contaminants, including Pb, Cd, and Hg. However, formation of these Cu x S nanoparticles has only been observed under sulfate-reducing conditions and could not be repeated using isolates of implicated organisms. As G. sulfurreducens is unable to respire sulfate, and no reducible sulfur was supplied to the cells, these data suggest a novel mechanism for the biomineralization of Cu 2 S under anoxic conditions. The implications of these findings for the biogeochemical cycling of Cu and other metals as well as the green production of Cu catalysts are discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Fecal microbiota transplantation ameliorates type 2 diabetes via metabolic remodeling of the gut microbiota in db/db mice

Gut microbiome (GM) deregulation has been implicated in major conditions such as obesity and type 2 diabetes (T2DM). Our previous prospective study indicated that fecal microbiota transplantation (FMT) successfully improved patients with T2DM. We hypothesized that FMT may be a potential therapeutic method for T2DM, but its precise mechanisms in T2DM remains to be elucidated. Eight db/m mice were FMT donors and control mice, and 16 genetically diabetic db/db mice were equally divided into two groups (db/db+phosphate-buffered saline (PBS) group, db/db+FMT group). The db/db+FMT group was administered fresh fecal suspension (0.2 mL/mice) daily for 4 weeks. Analysis of the GM and serum metabolome was carried out by 16S ribosomal RNA sequencing and liquid chromatogram-mass spectrometry, respectively. Effects of FMT on the gut barrier and pancreas were assessed using protein assays, messenger RNA, immunohistology and clinical indicators testing. Our results showed that FMT treatment of db/db mice relieves a series of clinical indicators, including fasting plasma glucose, serum insulin and oral glucose tolerance test among others. Compared with non-diabetic control mice, db/db+PBS mice exhibited decreased abundance of Ruminococaceae, Porphyromonadaceae and increased abundance of Rikenellaceae and Lactobacillaceae. FMT treatment reversed this effect on the microbiome. Eleven metabolites were changed between the db/db+PBS and db/db+FMT groups. Correlation analysis showed that the structural changes of the GM were correlated with host metabolite levels. We further showed that FMT treatment of db/db mice improved intestinal barrier function, reduced inflammation and caused an alteration in the number of circulating immune cells. FMT-mediated changes in the GM, serum metabolites, intestinal epithelial barrier, inflammation and circulating immune cells play an important role in the efficacy of FMT on T2DM disease progression.

60 APPLIED LIFE SCIENCES↗