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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

La 0.6 Sr 0.4 CoO 3−δ Films Under Deoxygenation: Magnetic And Electronic Transitions Are Apart from The Structural Phase Transition

Abstract Topotactic phase transitions induced by changes in the oxygen vacancy concentration can largely alter the physical properties of complex oxides, including electronic and magnetic phases, while maintaining the structural integrity of the crystal lattice. An oxygen‐vacancy‐induced topotactic phase transition from perovskite (PV) to brownmillerite (BM) is achieved in epitaxial La 0.6 Sr 0.4 CoO 3−δ (LSCO) thin films. Two novel intermediate states with different oxygen content are identified by X‐ray diffraction, which involves a single‐phase reduced PV state and a mixed state of co‐existing PV and BM. The combination of depth‐sensitive polarized neutron reflectometry (PNR) and Rutherford backscattering (RBS) allows a quantitative determination of magnetization and the mean oxygen content in all states, revealing a continuous transition from La 0.6 Sr 0.4 CoO 2.97 to La 0.6 Sr 0.4 CoO 2.5 . BM formation is observed for an LSCO layer with an oxygen content of 2.67, while the magnetic and electronic transition already occurs for a layer with a higher oxygen content of 2.77 (and above) and in the absence of a BM signature. These results demonstrate that the physics of electronic metal‐to‐insulator transition (MIT), magnetic ferromagnet‐to‐non‐ferromagnet transition (FM‐to‐non‐FM), and structural PV‐to‐BM phase transition should be considered within the framework of separate but interrelated processes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A comprehensive thermodynamic model for high salinity produced waters

Abstract Reuse of produced waters in oil and gas production is a major concern due to high treatment cost and regulations on disposal in the environment. To support development of separation techniques and process innovations, we report a comprehensive thermodynamic model for the aqueous hexary system of Na + , K + , Mg 2+ , Ca 2+ , Cl − , and SO 4 2− , the major ionic species present in high salinity produced waters. Based on the electrolyte NRTL theory, the model accurately calculates thermodynamic and phase equilibrium properties with two binary interaction parameters per water‐electrolyte pair and electrolyte‐electrolyte pair sharing a common ion. This article presents the methodology to identify the binary interaction parameters from literature data and the model results for wide varieties of thermodynamic and phase equilibrium properties including salt solubility for selected binary, ternary, quaternary, and quinary subsystems. The model is validated with the electrolyte concentrations up to salt saturation and temperatures from 273 to 473 K.

Tanveer, Sheik↗
DOE OSTI2022

New Insights into Physical Aging‐Induced Structure Evolution in Carbon Molecular Sieve Membranes

Abstract Carbon molecular sieve (CMS) membranes offer the best available combination of scalable economical processability with excellent separation performance. Physical aging of CMS membranes causes pore structure changes over time that affect CMS membrane performance. To provide fundamental insights into the structure evolution in CMS membranes during physical aging, a combined dual‐mode sorption and transport model is used in this study to characterize the diffusion coefficients of gas molecules in fresh and 7‐day vacuum aged CMS membranes. The results show physical aging of CMS membrane is primarily “diffusion related” and such aging behavior simultaneously causes ultramicropore changes in the continuous phase and Langmuir phase of CMS membrane. The new insights offered in this study suggest strategies to control the physical aging of CMS membranes and even use it as a valuable tool to tune the separation performance of CMS membranes for demanding gas separations.

Liu, Zhongyun↗
DOE OSTI2022

New Insights into Physical Aging-Induced Structure Evolution in Carbon Molecular Sieve Membranes

Carbon molecular sieve (CMS) membranes offer the best available combination of scalable economical processability with excellent separation performance. Physical aging of CMS membranes causes pore structure changes over time that affect CMS membrane performance. To provide fundamental insights into the structure evolution in CMS membranes during physical aging, a combined dual-mode sorption and transport model is used in this study to characterize the diffusion coefficients of gas molecules in fresh and 7-day vacuum aged CMS membranes. Further, the results show physical aging of CMS membrane is primarily “diffusion related” and such aging behavior simultaneously causes ultramicropore changes in the continuous phase and Langmuir phase of CMS membrane. The new insights offered in this study suggest strategies to control the physical aging of CMS membranes and even use it as a valuable tool to tune the separation performance of CMS membranes for demanding gas separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A robust measure of event isotropy at colliders

We introduce a new event shape observable — event isotropy — that quantifies how close the radiation pattern of a collider event is to a uniform distribution. This observable is based on a normalized version of the energy mover’s distance, which is the minimum “work” needed to rearrange one radiation pattern into another of equal energy. We investigate the utility of event isotropy both at electron-positron colliders, where events are compared to a perfectly spherical radiation pattern, as well as at proton-proton colliders, where the natural comparison is to either cylindrical or ring-like patterns. Compared to traditional event shape observables like sphericity and thrust, event isotropy exhibits a larger dynamic range for high-multiplicity events. This enables event isotropy to not only distinguish between dijet and multijet processes but also separate uniform N-body phase space configurations for different values of N. As a key application of this new observable, we study its performance to characterize strongly-coupled new physics scenarios with isotropic collider signatures.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

An adaptive space-time phase field formulation for dynamic fracture of brittle shells based on LR NURBS

Here, we present an adaptive space-time phase field formulation for dynamic fracture of brittle shells. Their deformation is characterized by the Kirchhoff–Love thin shell theory using a curvilinear surface description. All kinematical objects are defined on the shell’s mid-plane. The evolution equation for the phase field is determined by the minimization of an energy functional based on Griffith’s theory of brittle fracture. Membrane and bending contributions to the fracture process are modeled separately and a thickness integration is established for the latter. The coupled system consists of two nonlinear fourth-order PDEs and all quantities are defined on an evolving two-dimensional manifold. Since the weak form requires C 1 -continuity, isogeometric shape functions are used. The mesh is adaptively refined based on the phase field using Locally Refinable (LR) NURBS. Time is discretized based on a generalized-α method using adaptive time-stepping, and the discretized coupled system is solved with a monolithic Newton–Raphson scheme. Finally, the interaction between surface deformation and crack evolution is demonstrated by several numerical examples showing dynamic crack propagation and branching.

42 ENGINEERING↗
DOE OSTI2019

Gate-tunable ReS{sub 2}/MoTe{sub 2} heterojunction with high-performance photodetection

Van der Waals heterojunctions based on atomically thin two-dimensional (2D) materials have attracted numerous attention for their special scientific research value and promising applications in photoelectric and micro-nano electronic devices. Especially, the carrier generation, separation, and extraction process in 2D materials can be easily modulated by external field, which may facilitate some multifunctional electronics and optoelectronics. In this paper, we report a unique type-II band alignment ReS{sub 2}/MoTe{sub 2} heterojunction with rectification inversion due to the fact the bottom few-layer MoTe{sub 2} can be easily tuned from p-type to n-type state through the applied back-gate voltage. Then we study photodetection properties of ReS{sub 2}/MoTe{sub 2} heterojunction, a relatively fast photoresponse time of 109 μs and a considerable photoresponsivity of 0.34 AW{sup −1} for 520 nm at room temperature show great potential in photodetection. Our studies of ReS{sub 2}/MoTe{sub 2} heterojunction with rectification inversion and high-performance photodetection will facilitate the development of electronics and optoelectronics based on atomically-thin heterojunctions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Super Resolution Digital Image Correlation (SR-DIC): an Alternative to Image Stitching at High Magnifications

Abstract Background High-resolution Digital Image Correlation (DIC) measurements have previously been produced by stitching of neighboring images, which often requires short working distances. Separately, the image processing community has developed super resolution (SR) imaging techniques, which improve resolution by combining multiple overlapping images. Objective This work investigates the novel pairing of super resolution with digital image correlation, as an alternative method to produce high-resolution full-field strain measurements. Methods First, an image reconstruction test is performed, comparing the ability of three previously published SR algorithms to replicate a high-resolution image. Second, an applied translation is compared against DIC measurement using both low- and super-resolution images. Third, a ring sample is mechanically deformed and DIC strain measurements from low- and super-resolution images are compared. Results SR measurements show improvements compared to low-resolution images, although they do not perfectly replicate the high-resolution image. SR-DIC demonstrates reduced error and improved confidence in measuring rigid body translation when compared to low resolution alternatives, and it also shows improvement in spatial resolution for strain measurements of ring deformation. Conclusions Super resolution imaging can be effectively paired with Digital Image Correlation, offering improved spatial resolution, reduced error, and increased measurement confidence.

Hansen, R. S.↗
DOE OSTI2017

Enhanced Dissolution of Platinum Group Metals Using Electroless Iron Deposition Pretreatment

In order to develop a new method for efficiently recovering platinum group metals (PGMs) from catalyst scraps, the authors investigated an efficient dissolution process where the material was pretreated by electroless Fe deposition. When Rh-loaded alumina powder was kept in aqua regia at 313 K (40 °C) for 30 to 60 minutes, the Rh hardly dissolved. Meanwhile, after electroless Fe plating using a bath containing sodium borohydride and potassium sodium tartrate as the reducing and complexing agents, respectively, approximately 60 pct of Rh was extracted by aqua regia at 313 K (40 °C) after 30 minutes. Furthermore, when heat treatment was performed at 1200 K (927 °C) for 60 minutes in vacuum after electroless plating, the extraction of Rh approached 100 pct for the same leaching conditions. The authors also confirmed that the Fe deposition pretreatment enhanced the dissolution of Pt and Pd. These results indicate that an effective and environmentally friendly process for the separation and extraction of PGMs from catalyst scraps can be developed utilizing this Fe deposition pretreatment.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quantification of grain rotation in bulk nanostructured copper via in situ heating white beam synchrotron X-ray diffraction

Grain rotation during microstructural relaxation under heating is conventionally studied extensively through transmission electron microscopy and simulations. However, there is a shortage in examining grain rotations at larger length and volume scales in bulk materials. It is critical to understand the thermal stability of bulk nanostructured metals, since those enhanced mechanical properties have been well recognized. Here, this study aimed to employ a white beam microdiffraction X-ray technique under in situ heating from 300 K to 1073 K at 12 K/min on a nanostructured copper processed by high-pressure torsion, yielding an initial grain size of ∼260 nm before the heating. Evaluation across a wide range of temperatures reveals transition temperatures associated with microstructural relaxation processes. By tracking separate Laue diffraction peaks stemming from individual grains, changes in their orientations can be estimated and quantified. This approach becomes particularly effective when the number of grains within the probed volume is reasonably small. At temperatures above 940 K, about 7.5 % of Cu grains are rotating at speeds of ∼2 × 10 –3 °/s. The radial direction of the disk specimen is found to be the preferred direction of grain rotation, with the rotation axis along the shear direction. Further analysis found no correlation between peak intensity and peak size, related to grain sizes and deviatoric strain, respectively, with rotation conditions or speed. These findings demonstrate that the diffraction technique utilizing white beam X-rays is a complementary and novel characterization tool for understanding microstructural evolution, especially in grain rotations, of bulk crystalline materials.

Grain orientation↗
DOE OSTI2023

Adsorptive recovery of volatile fatty acids from wastewater fermentation broth

This work developed an adsorptive separation and recovery process for anaerobically generated volatile fatty acids (VFAs) from swine wastewater fermentation. Batch adsorption studies were conducted using several weak anion exchange resins and synthetic adsorbent resins to identify a suitable candidate. Relite RAM2 with a tertiary amine functional group showed the highest adsorption (over 98%) of hexanoic acid. Under the different pH values (1.8–7.5) and extraction temperatures (30–50 ↑C), the highest adsorption was observed at a pH of 3.2, which is below the pKa of hexanoic acid, at all the evaluated temperatures. A full factorial design was used to optimize the resin and VFA concentrations, wherein over 99% adsorption could be achieved when the ratio of VFA to resin was below 0.23 (g/g) for model solution (VFAs in water). The adsorption equilibrium could be achieved within 30 min of contact time and 0.5% w/v NaOH was identified as a suitable desorption agent. Under the optimal conditions, 65–72% of VFAs present in fermentation broth was adsorbed, which was increased to 72–76% by using fresh resins. The VFAs adsorption and recovery efficiency were maintained for 9 successive cycles without requiring extensive resin washing and regeneration for both model solution and fermentation broth. Altogether, the work presents a comprehensive study for resin adsorption to recover VFAs and provides a potential industrial-relevant process to recover VFAs from fermentation broth.

09 BIOMASS FUELS↗
DOE OSTI2021

Iterative hybrid manufacture of a titanium alloy component

Here, this paper describes an iterative hybrid (additive + subtractive) manufacturing approach for a titanium alloy (Ti6Al4V) part using a laser hotwire directed energy deposition system (LHWDED) and a traditional four-axis milling machine tool. The term iterative hybrid manufacturing is used to described hybrid manufacturing where the additive and subtractive operations occur in multiple stages rather than sequentially. It is currently common to produce an entire part by sequential hybrid manufacturing by additively manufacturing (AM) an entire preform geometry that then requires post processing by another machine tool to create final part features. By contrast, a part produced by iterative hybrid manufacturing (IHM) does not produce the entire preform geometry in a single AM process. Instead, a portion of the entire preform geometry is manufactured by an AM process, then that portion is transferred to another machine tool which creates features in that portion, and then that machined portion is transferred back to the AM machine to complete another AM process. There is no limit to the number of iterations that an IHM process can have. IHM offers several advantages over sequential hybrid manufacturing such as the use of shorter and stiffer subtractive tooling, better access to part geometries that require subtractive processes, and the separation of the AM heat source from the subtractive machine tool. A titanium alloy demonstration part was successfully manufactured by IHM with three iterations using a shared pallet system between the AM machine tool and the subtractive machine tool.

Hybrid manufacturing↗
DOE OSTI2017

Bottlebrush-Guided Polymer Crystallization Resulting in Supersoft and Reversibly Moldable Physical Networks

The goal of this study is to use ABA triblock copolymers with central bottlebrush B segments and crystalline linear chain A segments to demonstrate the effect of side chains on the formation and mechanical properties of physical networks cross-linked by crystallites. For this purpose, a series of bottlebrush copolymers was synthesized consisting of central amorphous bottlebrush polymer segments with a varying degree of polymerization (DP) of poly(n-butyl acrylate) (PnBA) side chains and linear tail blocks of crystallizable poly(octadecyl acrylate-stat-docosyl acrylate) (poly(ODA-stat-DA)). The materials were generated by sequential atom transfer radical polymerization (ATRP) steps starting with a series of bifunctional macroinitiators followed by the growth of two ODA-stat-DA linear-chain tails and eventually growing poly(nBA) side chains with increasing DPs. Crystallization of the poly(ODA-stat-DA) tails resulted in a series of reversible physical networks with bottlebrush strands bridging crystalline cross-links. They displayed very low moduli of elasticity of the order of 10 3 –10 4 Pa. These distinct properties are due to the bottlebrush architecture, wherein densely grafted side chains play a dual role by facilitating disentanglement of the network strands and confining crystallization of the linear-chain tails. This combination leads to physical cross-linking of supersoft networks without percolation of the crystalline phase. The cross-link density was effectively controlled by the DP of the side chains with respect to the DP of the linear tails (n A ). Furthermore, shorter side chains allowed for crystallization of the linear tails of neighboring bottlebrushes, while steric repulsion between longer side chains hindered the phase separation and crystallization process and prevented network formation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Morphology and CO Oxidation Activity of Pd Nanoparticles on SrTiO 3 Nanopolyhedra

Single crystal SrTiO 3 nanocuboids having primarily TiO 2 -(001) surfaces and nanododecahedra having primarily (110) surfaces were created by two separate hydrothermal synthesis processes. Pd nanoparticles grown on the two sets of STO nanopolyhedra by atomic layer deposition show different morphologies and CO oxidation performance. Transmission electron microscopy and small-angle X-ray scattering show that 2-3 nm Pd nanoparticles with 3-5 nm interparticle distances decorate the STO surfaces. When the number of ALD cycles increases, the growth of the Pd nanoparticles is more significant in size on TiO 2 -(001)-STO surfaces, while that on (110)-STO surfaces is more predominant in number. High resolution electron microscopy images show that single crystal and multiply twinned Pd nanoparticles coexist on both types of the STO nanopolyhedra and exhibit different degrees of adhesion. The CO oxidation reaction, which was employed to determine the dependence of catalytic activity, demonstrated that the Pd catalytic performance was dominated by the coverage of CO, which is more directly related to Pd nanoparticle size than to shape. CO turnover frequency analysis and diffuse reflectance infrared Fourier transform spectroscopy show that regardless of the shape or degrees of wetting, larger Pd nanoparticles (~ 3 nm) have lower catalytic activity due to high CO coverage on nanoparticle facets. Smaller nanoparticles (~ 2 nm) have more edge and corner sites and present 2-3 times higher TOF at 80 and 100 degrees C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Modulation of Tropical Convection-Circulation Interaction by Aerosol Indirect Effects in Convective Self-Aggregation Simulations of a Gray Zone Global Model

Disentangling the response of tropical convective updrafts to enhanced aerosol concentrations has been challenging. Leading theories for explaining the influence of aerosol concentrations on tropical convection are based on the dynamical response of convection to changes in cloud microphysics, neglecting possible changes in the environment. In recent years, global convection-permitting models (GCPM) have been developed to circumvent problems arising from imposing artificial scale separation on physical processes associated with deep convection. Here, we use a global model in the convective gray zone that partially simulates deep convection to investigate how enhanced concentrations of aerosols that act as cloud condensate nuclei (CCN) impact tropical convection features by modulating the convection-circulation interaction. Results from a pair of idealized non-rotating radiative-convective equilibrium simulations show that the enhanced CCN concentration leads to weaker large-scale circulation, the closeness of deep convective systems to the moist cluster edges, and more mid-level cloud water at an equilibrium state in which convective self-aggregation occurred. Correspondingly, the enhanced CCN concentration modulates how the physical processes that support or oppose convective aggregation maintain the aggregated state at equilibrium. Overall, the enhanced CCN concentration facilitates the development of deep convection in a drier environment but reduces mean precipitation. Our results emphasize the importance of allowing atmospheric phenomena to evolve continuously across spatial and temporal scales in simulations when investigating the response of tropical convection to changes in cloud microphysics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Chelation and stabilization of berkelium in oxidation state +IV

Berkelium (Bk) has been predicted to be the only transplutonium element able to exhibit both +III and +IV oxidation states in solution, but evidence of a stable oxidized Bk chelate has so far remained elusive. Here, in this work, we describe the stabilization of the heaviest 4+ ion of the periodic table, under mild aqueous conditions, using a siderophore derivative. The resulting Bk(IV) complex exhibits luminescence via sensitization through an intramolecular antenna effect. This neutral Bk(IV) coordination compound is not sequestered by the protein siderocalin - a mammalian metal transporter - in contrast to the negatively charged species obtained with neighbouring trivalent actinides americium, curium and californium (Cf). The corresponding Cf(III)-ligand-protein ternary adduct was characterized by X-ray diffraction analysis. Finally, combined with theoretical predictions, these data add significant insight to the field of transplutonium chemistry, and may lead to innovative Bk separation and purification processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Bimodality in simulated precipitation frequency distributions and its relationship with convective parameterizations

Abstract Bimodality in precipitation frequency distributions is often evident in atmospheric models, but rarely in observations. This study i) proposes a metric to objectively quantify the bimodality in precipitation distributions, ii) evaluates model simulations contributed to the Coupled Model Intercomparison Project (CMIP) phase 5 (CMIP5), phase 6 (CMIP6), and the DYnamics of the Atmospheric general circulation Modeled On Non-hydrostatic Domains (DYAMOND) project by comparing them to satellite-based and reanalysis precipitation products, and iii) investigates possible origins of bimodal precipitation distributions. Our results reveal that about 83% (20 out of 24) of CMIP5 and 70% (21 out of 30) of CMIP6 models used in this study exhibit bimodal distributions. The few DYAMOND models that use a deep convective parameterization also show bimodal distributions, while most DYAMOND models do not. Predictably, the bimodality originates from the separation of precipitation process between resolved grid-scale and parameterized subgrid-scale. However, in a larger number of models bimodality arises from the parameterized subgrid-scale convective precipitation alone.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Pushing the limits of size selectivity in nanoscale solute separations

Transport of a spherical solute through a cylindrical pore has been modelled for decades using well-established hindered transport theory, predicting solutes with a size smaller than the pore to be rejected nonetheless because of convective and diffusive hindrance; this rejection mechanism prevents extremely sharp solute separations by a membrane. Whereas the model has been historically verified, solute transport through near-perfect isoporous membranes may finally overcome this limitation. Here, in this study, encouraging solute rejections are achieved using nanofabricated, defect-free silicon nitride isoporous membranes. The membrane is challenged by a recirculated feed to increase the opportunity for interactions between solutes and the pore array. Results show the membrane completely reject solutes with greater size than the pore size while effectively allowing smaller solutes to permeate through. With effectively increasing the number of interactions, we propose that a steeper size-selective rejection curve may be achieved. With this traditional hurdle overcome, there is new promise for unprecedented membrane separations through judicious process design and extremely tight pore-size distributions.

Gao, Feng↗