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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Laminar drag reduction in microchannels with liquid infused textured surfaces

Liquid infused surfaces (LIS) achieve non-wetting properties through asperity structures containing pockets of a lubricating liquid rather than air. Although studies have demonstrated several potential applications of LIS, the effect of liquid infused texture on the flow of liquid in microchannels has not been systematically addressed. The present work focuses on the effect of liquid-infused texture geometry and the infused liquid properties on the flow characteristics of a bulk fluid in rectangular and round microchannel geometries. Considering four different textured geometries of transverse ridges, longitudinal ridges, in-lined square posts and staggered squares, a detailed parametric study is presented to assess the resulting drag reduction and friction factor, expressed in terms of the Poiseuille number, on the flow in microchannels. The effect of geometrical parameters is investigated for different asperity solid fraction (Φ s ), asperity height (h s ) and channel thickness (H) or tube diameter (D), while the effect of the infused fluid is studied in terms of a ratio of its viscosity relative to the viscosity of the flowing bulk fluid. Based on the results of the parametric study an extension of the conventional Moody diagram for non-wetting surfaces is developed. Finally, a design of experiments study is conducted to relate the drag reduction and Poiseuille number to the various governing parameters, using which conditions that maximize drag reduction are identified.

42 ENGINEERING↗
DOE OSTI2020

Operator inference for non-intrusive model reduction of systems with non-polynomial nonlinear terms

Here in this work we present a non-intrusive model reduction method to learn low-dimensional models of dynamical systems with non-polynomial nonlinear terms that are spatially local and that are given in analytic form. In contrast to state-of-the-art model reduction methods that are intrusive and thus require full knowledge of the governing equations and the operators of a full model of the discretized dynamical system, the proposed approach requires only the non-polynomial terms in analytic form and learns the rest of the dynamics from snapshots computed with a potentially black-box full-model solver. The proposed method learns operators for the linear and polynomially nonlinear dynamics via a least-squares problem, where the given non-polynomial terms are incorporated on the right-hand side. The least-squares problem is linear and thus can be solved efficiently in practice. The proposed method is demonstrated on three problems governed by partial differential equations, namely the diffusion–reaction Chafee–Infante model, a tubular reactor model for reactive flows, and a batch-chromatography model that describes a chemical separation process. The numerical results provide evidence that the proposed approach learns reduced models that achieve comparable accuracy as models constructed with state-of-the-art intrusive model reduction methods that require full knowledge of the governing equations.

42 ENGINEERING↗
DOE OSTI2021

Skeletal model reduction with forced optimally time dependent modes

Skeletal model reduction based on local sensitivity analysis of time dependent systems is presented in which sensitivities are modeled by forced optimally time dependent (f-OTD) modes. The f-OTD factorizes the sensitivity coefficient matrix into a compressed format as the product of two skinny matrices, i.e. f-OTD modes and f-OTD coefficients. The modes create a low-dimensional, time dependent, orthonormal basis which capture the directions of the phase space associated with most dominant sensitivities. These directions highlight the instantaneous active species, and reaction paths. Evolution equations for the f-OTD modes and coefficients are derived, and the implementation of f-OTD for skeletal reduction is described. For demonstration, skeletal reduction is conducted of the constant pressure ethylene-air burning in a zero-dimensional reactor, and new reduced models are generated. The laminar flame speed, the ignition delay, and the extinction curve as predicted by the models are compared against some existing skeletal models in literature for the same detailed model. Finally, the results demonstrate the capability of f-OTD to eliminate unimportant reactions and species in a systematic, efficient and accurate manner.

42 ENGINEERING↗
DOE OSTI2023

Control oriented model order reduction for the hydraulic system of an autonomous wheel loader

Control design for an autonomous wheel loader requires a high-fidelity and low-order dynamics model. The objective of order reduction is to decrease the number of states in the model while maintaining performance comparable to the original model. Of all the power components in a wheel loader, the model order reduction for steering and working hydraulic systems is most demanding due to its nonlinear and stiff dynamical nature. This paper describes a physics-inspired model order reduction method that can reduce the model order by close to thirty percent. It is achieved by discarding orders with fast dynamics and consolidating multiple states into less new states. Furthermore, this method can also be extended to other types of off-road vehicles such as excavators, bulldozers, etc. Simulation results demonstrate that the reduced-order model exhibits very similar performance to the full-order model under typical operating conditions of wheel loaders, with an output error of less than six percent.

42 ENGINEERING↗
DOE OSTI2023

Demand reduction and energy saving potential of thermal energy storage integrated heat pumps [Réduction de la demande et potentiel d'économie d'énergie des pompes à chaleur avec stockage d'énergie thermique intégré]

A heat pump (HP) moves heat from a low-temperature source to a high-temperature sink with an input of energy. Often, one temperature body fluctuates with time (e.g., diurnal ambient temperature), causing the HP efficiency to vary. Integrating thermal energy storage (TES) into a HP system adds a third temperature body, enabling the HP to be advantageously coupled to any two: the application, the ambient, or the TES at strategic times. Although TES integration with HPs is an important emerging technology to lower energy consumption and decrease energy demand during critical times, the favorable circumstances for TES integration are poorly understood. Here, this paper establishes the energy reduction and demand reduction potential of TES-integrated HPs with both analytical and numerical HP models. All possible temperature arrangements are considered for HP-TES systems with two fixed temperature bodies (application and TES) and one variable temperature (ambient). Results show that overall energy savings are most attainable when the TES temperature is near the application temperature, whereas a large temperature difference between the TES and the application leads to the most peak demand reduction. The potential for overall energy savings increases as the magnitude of ambient temperature fluctuations increases.

25 ENERGY STORAGE↗
DOE OSTI2017

Monte Carlo simulation of excitation and ionization collisions with complexity reduction

Kinetic simulation of plasmas with detailed excitation and ionization collisions presents a significant computational challenge due to the multiscale feature of the collisional rates. In the present work, we propose a complexity reduction method based on atomic level grouping for modeling excitation and ionization collisions. High order of accuracy of the reduction method is realized by allowing an internal distribution within each group. We apply the reduction method to the standard Monte Carlo collision algorithm to model an atomic Hydrogen plasma. Numerical results suggest that the stiffness of the collisional kinetics can be significantly reduced with minimal loss in accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Discrete ordinates analysis of the forced-flight variance reduction technique in Monte Carlo neutral particle transport simulations

This paper presents mathematical formulations and methods to predict the effect of forced-flight variance reduction on Monte Carlo tally variance and calculation time. This includes deducing biasing operators that are then used to construct a history-score probability density function (HSPDF), which represents all possible Monte Carlo random walks and gives the probability of a Monte Carlo history scoring in a tally from a particular phase-space position. The history-score moment equations (HSMEs), the statistical moments of the HSPDF, are then derived to calculate the statistical behavior of the Monte Carlo tally when forced-flight variance reduction is applied. In addition, the future-time equation (FTE) is derived to predict the Monte Carlo computational time as a result of applying forced-flight variance reduction. The solutions of the HSMEs and FTE can be used to predict Monte Carlo computational cost. Furthermore, this work also describes a discrete ordinates method to solve the forced-flight HSMEs and FTE. Several 1-D and 2-D test problems verify that the derivations are performed and implemented correctly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

A hybrid Monte Carlo-deterministic second moment method with efficient variance reduction

In this work, we present a hybrid method that combines Monte Carlo with deterministic finite element methods to solve a linear Boltzmann transport equation. Our hybrid method runs orders of magnitude faster than Monte Carlo, without sacrificing accuracy, for a proxy problem from radiative transfer that contains both optically-thick and optically-thin material. We believe that this is the first demonstration of a hybrid Second Moment Method in more than one spatial dimension, the first to consider more than one material, and the first to use variance reduction. Our variance reduction approach arises from an asymptotic analysis in which we show that the magnitude of the scattering source grows without bound. We transform the problem to compute the deviation of the radiation intensity from isotropy. The magnitude of the source in the transformed problem is bounded, and the quality of the hybrid method solution is dramatically improved by a substantial reduction in the variance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Precious metal oxygen-evolving anodes for electrolytic reduction of metal oxides in molten LiCl-Li 2 O electrolyte

Understanding the electrochemical stability of oxygen-evolving anode materials in molten salt electrolytes is essential to enable decarbonized electrolytic reduction of metal oxides (e.g., used nuclear oxide fuels). Here, this work investigated three precious metals (Ir, Ru, and Pt) as oxygen-evolving anodes in molten LiCl-Li 2 O (99.0-1.0 wt%) at 650 °C. For consistent measurements, this work employed a three-electrode cell comprised of a two-phase Li-Bi (65-35 at%) reference electrode and a NiO counter electrode. Anodic polarization behavior of each anode was investigated via cyclic voltammetry (CV) and chronoamperometry. The onset potential for oxygen evolution was observed at E > 2.9 V (vs. Li/Li + ) for the Ir and Ru anodes and anodic current density was as high as 1.0 A cm -2 at 3.23 V. The dimensional stability of each anode was evaluated from long-term electrolysis experiments (10.0-32.1 h) at 3.23 V. Rapid consumption of the Pt anode was observed after the application of 26,453 C cm -2 with a reduction in diameter of about 15.8% due to the formation of a non-protective Li 2 PtO 3 compound. The formation of this compound was also observed during CV measurements as additional anodic waves at potentials more negative than that of oxygen evolution. In contrast, both the Ir and Ru anodes exhibited excellent dimensional stability with a reduction in diameter or thickness of less than 1.5% even after applying greater charge density of ~41,100 C cm -2 , demonstrating superior stability during oxygen evolution in the LiCl-Li 2 O electrolyte.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Reaction pathways and Sb(III) minerals formation during the reduction of Sb(V) by Rhodoferax ferrireducens strain YZ-1

Antimony (Sb), a non-essential metalloid, can be released into the environment through various industrial ac-tivities. Sb(III) is considered more toxic than Sb(V), but Sb(III) can be immobilized through the precipitation of insoluble Sb 2 S 3 or Sb 2 O 3 . In the subsurface, Sb redox chemistry is largely controlled by microorganisms; how-ever, the exact mechanisms of Sb(V) reduction to Sb(III) are still unclear. Here, in this study, a new strain of Sb(V)-reducing bacterium, designated as strain YZ-1, that can respire Sb(V) as a terminal electron acceptor was iso-lated from Sb-contaminated soils. 16S-rRNA gene sequencing of YZ-1 revealed high similarity to a known Fe(III)-reducer, Rhodoferax ferrireducens. XRD and XAFS analyses revealed that bioreduction of Sb(V) to Sb(III) proceed through a transition from amorphous valentinite to crystalline senarmontite (allotropes of Sb 2 O 3 ). Genomic DNA sequencing found that YZ-1 possesses arsenic (As) metabolism genes, including As(V) reductase arsC. The qPCR analysis showed that arsC was highly expressed during Sb(V)-reduction by YZ-1, and thus is proposed as the potential Sb(V) reductase in YZ-1. This study provides new insight into the pathways and products of microbial Sb(V) reduction and demonstrates the potential of a newly isolated bacterium for Sb bioremediation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Recent mechanistic developments for cytochrome c nitrite reductase, the key enzyme in the dissimilatory nitrate reduction to ammonium pathway

Cytochrome c nitrite reductase, NrfA, is a soluble, periplasmic pentaheme cytochrome responsible for the reduction of nitrite to ammonium in the Dissimilatory Nitrate Reduction to Ammonium (DNRA) pathway, a vital reaction in the global nitrogen cycle. NrfA catalyzes this six-electron and eight-proton reduction of nitrite at a single active site with the help of its quinol oxidase partners. In this study, we summarize the latest progress in elucidating the reaction mechanism of ammonia production, including new findings about the active site architecture of NrfA, as well as recent results that elucidate electron transfer and storage in the pentaheme scaffold of this enzyme.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Direct chemical reduction of neptunium oxide to neptunium metal using calcium and calcium chloride

A process of direct reduction of neptunium oxide to neptunium metal using calcium metal as the reducing agent is discussed. After reduction of the oxide to metal, the metal is separated by density from the other components of the reaction mixture and can easily removed upon cooling. Furthermore, the direct reduction technique consistently produces high purity (98%–99% pure) neptunium metal.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Size and morphology controlled NiSe nanoparticles as efficient catalyst for the reduction reactions

Facile and efficient ball milling and polyol methods were employed for the synthesis of nickel selenide (NiSe) nanoparticle. The particle size of the NiSe nanoparticle has been controlled mechanically by varying the ball size in the milling process. The role of the surfactants in the formation of various morphologies was studied. The compounds were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray energy dispersive spectroscopy (EDS). The efficiency of the NiSe nanoparticle as a catalyst was tested for the reduction of para-nitroaniline (PNA) to para-phenyldiamine (PPD) and para-nitrophenol (PNP) to para-aminophenol (PAP) using NaBH{sub 4} as the reducing agent. Particle size, morphology and the presence of surfactant played a crucial role in the reduction process. - Graphical abstract: NiSe nanoparticles in different size and morphology were synthesized using facile ball milling and polyol methods. Particle size, morphology and the presence of surfactant in these materials played a crucial role in the hydrogenation of PNA and PNP. - Highlights: • NiSe nanoparticles synthesized using ball milling and solution phase methods. • NiSe nanoparticle is an efficient catalyst for the reduction of PNA and PNP. • NiSe is found to be better than the best reported noble metal catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quantification and evaluation of strain reduction from small-bubble gas injection in Spallation Neutron Source target vessels

Small-bubble gas injection has been routinely utilized in the operation of Spallation Neutron Source (SNS) mercury targets since 2017 to mitigate cavitation-induced erosion damage to target vessels. Strain measurements of target vessels collected in-situ during initial operation with gas injection were used to study the gas injection effect on the structural response of targets to proton pulses. A significant strain reduction owing to gas injection was found by comparing the strain measurement data during operation with and without gas injection. The research presented here focuses on quantifying strain reductions in SNS targets and evaluating the effect of small-bubble gas injection by comparing different bubbler types and target designs. The strain measurement results show the gas injection significantly reduced strain in SNS target vessels; strain values decreased by 30% to 80% for targets operating with gas injection. Stress and strain responses of SNS targets were simulated to numerically evaluate the gas injection effect. Based on the predicted stresses with and without gas injection, the fatigue lifetimes of SNS jet-flow design target were estimated using fe-safe fatigue analysis software. The simulations show these reductions should improve the fatigue life of target vessels and allow SNS targets to meet their fatigue design goal.

Fatigue life estimation↗
DOE OSTI2013

Synthesis and electrocatalytic performance for p-nitrophenol reduction of rod-like Co{sub 3}O{sub 4} and Ag/Co{sub 3}O{sub 4} composites

Graphical abstract: The pure Co{sub 3}O{sub 4} and Ag/Co{sub 3}O{sub 4} composite with 5% Ag all exhibited rod-like morphology, and the microrods were actually composed of nanoparticles with mean size of 35 nm or so. - Highlights: • A facile route was designed to fabricate rod-like Co{sub 3}O{sub 4} and Ag/Co{sub 3}O{sub 4} composite nanomaterials. • Co{sub 3}O{sub 4} and Ag/Co{sub 3}O{sub 4} composite were modified on a GCE directly. • All samples exhibited enhanced catalytic property for p-nitrophenol reduction. - Abstract: Rod-like precursors of Co{sub 3}O{sub 4} and Ag/Co{sub 3}O{sub 4} composites with different Ag contents were synthesized via a co-precipitation method. Co{sub 3}O{sub 4} and Ag/Co{sub 3}O{sub 4} composite samples were fabricated by calcining each precursor at 400 °C for 3 h. The as-prepared samples were characterized by thermogravimetric analysis and differential thermal gravimetric analysis (TGA/DTA), X-ray diffraction (XRD), transmission electron microscopy (TEM), and field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), respectively. Co{sub 3}O{sub 4} and Ag/Co{sub 3}O{sub 4} composites were used as electrocatalyst modified on a glassy carbon electrode for p-nitrophenol reduction in basic solution. The results showed that p-nitrophenol could be reduced effectively on the modified electrode. By comparison with a bare glassy carbon electrode, peak current increased markedly with Co{sub 3}O{sub 4} and Ag/Co{sub 3}O{sub 4} samples, and peak potential decreased obviously with Ag/Co{sub 3}O{sub 4} samples. Ag/Co{sub 3}O{sub 4} composites with 4% Ag exhibited the highest electrocatalytic activity for p-nitrophenol reduction.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effect of Ce/Zr molar ratio on the performance of Cu–Ce{sub x}–Zr{sub 1−x}/TiO{sub 2} catalyst for selective catalytic reduction of NO{sub x} with NH{sub 3} in diesel exhaust

Graphical abstract: The Cu–Ce{sub 0.25}–Zr{sub 0.75}/TiO{sub 2} catalyst exhibited excellent SCR activity at 165–450 °C within the range of exhaust temperatures of diesel engines. - Highlights: • Cu–Ce{sub x}–Zr{sub 1−x}/TiO{sub 2} catalysts were prepared by a wet impregnation method. • The property for NH{sub 3}-selective catalytic reduction of NO{sub x} were investigated. • The Ce/Zr molar ratio had effects on the performance of Cu–Ce–Zr/TiO{sub 2} catalysts. • The Cu–Ce{sub 0.25}–Zr{sub 0.75}/TiO{sub 2} sample exhibited 100% NO{sub x} conversion between 165 °C and 450 °C. • The factors that govern the activity enhancement were extensively investigated. - Abstract: Copper–cerium–zirconium catalysts loaded on TiO{sub 2} prepared by a wet impregnation method were investigated for NH{sub 3}-selective catalytic reduction of NO{sub x}, aiming to study the effects of the Ce/Zr molar ratio on the performance of Cu–Ce–Zr/TiO{sub 2} catalysts. The Cu–Ce{sub 0.25}–Zr{sub 0.75}/TiO{sub 2} sample exhibited nearly 100% NO{sub x} conversion over a wide temperature range (165–450 °C), which is strikingly superior to that of Cu/TiO{sub 2} (210–389 °C) within the range of exhaust temperatures of diesel engines. The factors that govern the activity enhancement were extensively investigated by using a series of characterization techniques, namely X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and temperature-programmed reduction by hydrogen (H{sub 2}-TPR). The results showed that the addition of zirconium and/or cerium refined the copper dispersion, prevented copper crystallization and partially incorporated the copper ions into the zirconia (ceira) lattice, which led to enhance the redox abilities of Cu–Ce–Zr/TiO{sub 2} catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A facile strategy to fabricate plasmonic Cu modified TiO{sub 2} nano-flower films for photocatalytic reduction of CO{sub 2} to methanol

Graphical abstract: Photoreduction of CO{sub 2} to CH{sub 3}OH over plasmonic Cu/TiO{sub 2} film. - Highlights: • Cu nanoparticles modified TiO{sub 2} nano-flower film was prepared by a facile strategy. • Cu nanoparticles can enhance the light absorption and the Raman scattering of TiO{sub 2}. • Cu nanoparticles can effectively restrain the recombination of the charge carriers. • A synergistic mechanism is proposed for photocatalytic reduction of CO{sub 2} on Cu/TiO{sub 2} film. - Abstract: Cu nanoparticles (NPs) deposited TiO{sub 2} nano-flower films were fabricated using a combination of a hydrothermal method and a microwave-assisted reduction process. The investigations indicated that Cu NPs and TiO{sub 2} film both exhibit visible light harvesting properties based on localized surface plasmon resonance (LSPR) of Cu NPs and unique nanostructures of TiO{sub 2} film. Fluorescence quenching was observed because the recombination of charge carriers was effectively suppressed by Cu NPs deposition. The experimental results indicate that Cu/TiO{sub 2} films exhibit better activity for the photocatalytic reduction of CO{sub 2} due to the charge transfer property and LSPR effect of Cu NPs. The CH{sub 3}OH production rate reached 1.8 μmol cm{sup −2} h{sup −1} (energy efficiency was 0.8%) over 0.5 Cu/TiO{sub 2} film under UV and visible light irradiation, which was 6.0 times higher than that observed over pure TiO{sub 2} film. In addition, a tentative photocatalytic mechanism is proposed to understand the experimental results over the Cu modified TiO{sub 2} nano-flower films.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Zn/ZnO dendrites arising the heat-treatment of Zn dendrites and their photocatalytic reduction of Cr(VI)

Highlights: • Zn/ZnO dendrites are prepared by an electrodeposition and subsequent annealing route. • The annealing temperature strongly affects the molar ratio of Zn/ZnO in the product. • As-prepared products can be used as the photocatalysts for the reduction of Cr(VI). • Zn/ZnO-200 presents the strongest photocatalytic activity for the reduction of Cr(VI). - Abstract: An electrodeposition-calcination route was designed for the preparation of Zn/ZnO dendrites in this work. Zn dendrites were first deposited at room temperature via a potentiostatic electrodeposition route at the potential of −1.5 V for 10 min. Then, Zn/ZnO dendrites were obtained through calcining Zn dendrites in air at 100–400 °C for 30 min. The produced Zn/ZnO dendrites were labeled as Zn/ZnO-N (N = 100, 200, 300 and 400). The investigations showed that the as-obtained Zn/ZnO-200 dendrites exhibited the strongest photocatalytic activity for the reduction of Cr (VI)–Cr (III) under the radiation of 460 mW cm{sup −2} white light from a Xenon lamp. Within 16 min, ∼92% of Cr (VI) was reduced when Zn/ZnO-200 was used as the photocatalyst. Also, the as-obtained Zn/ZnO-200 catalyst owned good stability. After six cycles, the catalytic efficiency had only slight decrease, which is favorable for reducing the cost in the practical application.

36 MATERIALS SCIENCE↗