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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Low-Resistant Ion-Exchange Membranes for Energy Efficient Membrane Capacitive Deionization

Membrane capacitive deionization (MCDI) has emerged as an effective and energy efficient desalination technology for treating brackish water streams used in numerous industrial processes. Most material research studies on MCDI focus on improving the porous electrodes or using flowing electrode architectures, and little emphasis is given to the rationale design of ion-exchange membranes (IEMs) for MCDI. In this work, the ionic conductivity, permselectivity, and thickness for three different IEM chemistries (polyaliphatic, poly(arylene ether), and perfluorinated) were correlated to MCDI performance attributes: energy expended per ion removed, salt removal efficiency, and Coulombic efficiency. A 5- to 10-fold reduction in area specific resistance, which accounts for thickness and ionic conductivity, with unconventional perfluorinated and poly(arylene ether) IEMs reduced the energy expended per ion removed in MCDI by a factor of 2 when compared to conventional electrodialysis IEMs. In situ electrochemical impedance spectroscopy substantiated that thinner membranes with higher ionic conductivity helped in the reduction of energy expended per ion removed (more than 50%). Lastly, the lower than 100% Coulombic efficiency is ascribed to carbon corrosion of the porous electrodes highlighting that further improvements in MCDI do not just necessitate more appropriate membranes but corrosion resilient electrodes. KEYWORDS: Desalination, Ion-exchange membranes, Membrane capacitive deionization

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

Battery cell engineering and design to reach high energy

Improved high energy capacity designs for lithium ion batteries are described that take advantage of the properties of high specific capacity anode active compositions and high specific capacity cathode active compositions. In particular, specific electrode designs provide for achieving very high energy densities. Furthermore, the complex behavior of the active materials is used advantageously in a radical electrode balancing design that significantly reduced wasted electrode capacity in either electrode when cycling under realistic conditions of moderate to high discharge rates and/or over a reduced depth of discharge.

25 ENERGY STORAGE↗
DOE OSTI2023

Densified vertically lamellar electrode architectures for compact energy storage

As one of the most compact electrochemical energy storage systems, lithium-ion batteries (LIBs) are playing an indispensable role in the process of vehicle electrification to accelerate the shift to sustainable mobility. Making battery electrodes thicker is a promising strategy for improving the energy density of LIBs which is essential for applications with weight or volume constraints, such as electric-powered transportation; however, their power densities are often significantly restricted due to elongated and tortuous charge traveling distances. Here, we propose an effective methodology that couples bidirectional freeze-casting and compression-induced densification to create densified vertically lamellar electrode architectures for compact energy storage. The vertically lamellar architectures not only overcome the critical thickness limit for conventional electrodes but also facilitate and redistribute the lithium-ion flux enabling both high rate capability and stable cyclability. Furthermore, this proposed methodology is universal as demonstrated in various electrochemical active material systems. This study offers a facile approach that realizes simultaneous high energy and high power in high-loading battery electrodes and provides useful rationales in designing electrode architectures for scalable energy storage systems.

42 ENGINEERING↗
DOE OSTI2014

Distribution of ion current density on a rotating spherical cap substrate during ion-assisted deposition

The uniformity of ion density is critical for applications relying on the ion assisted deposition technique for the fabrication of the high quality thin films. The authors propose and describe here a method allowing one to calculate the ion density distribution on spherical substrate holders under stationary and rotating conditions for different positions of the ion source. The ion beam shape was approximated by a cos{sup n} function, and the ion current density was represented by a function inversely proportional to the distance from the ion source in accordance with our experimental results. As an example, a calculation of the current density distribution on the spherical cap substrate was performed for a broad beam ion source operated with an anode current of 3 A. The authors propose an approach for process optimization with respect to the ion source position and its inclination, in terms of uniformity and absolute value of the ion current density.

42 ENGINEERING↗
DOE OSTI2025

Water content modulation enables selective ion transport in 2D MXene membranes

Separation membranes are critical for a range of processes, including but not limited to water desalination, chemical and fuel production, and recycling and recovery applications. Fundamentally, there are intrinsic trade-offs between permeability and selectivity. Local water organization and content can impact membrane structure (short- and long-range) in laminar transition metal carbide (MXene) membranes and impact selective ion permeation. Intercalation of chaotropic cesium (Cs + ) ions within the layers reduces the water content in the membrane and at the surface which cannot be found in the intercalation of other ions. Additionally, 3D imaging using focused ion beam scanning electron microscopy showed fewer defects in the Cs-MXene membrane, due to reduced local water content, leading to more efficient ion sieving. X-ray diffraction and density functional theory calculations on the nanochannel structure demonstrated that the chaotropic ion results in the smallest nanochannel size and induces a stronger resistance to water-induced nanochannel swelling. With a narrower nanochannel, the Cs-MXene membrane limits ion transport pathways, resulting in more selective transport of lithium over other metal cations, as evidenced in both experiment and molecular dynamics simulations. In conclusion, our findings highlight the potential for controlling the structural organization of 2D MXene membranes to enable on-demand transport of ions for diverse applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of ion interactions on the Raman spectrum of NO 3 − : Toward monitoring of low-activity nuclear waste at Hanford

Raman spectroscopy is a valuable in-situ technique for many applications. The concentrations of species in complex ionic mixtures of nuclear waste can be estimated using Raman measurements. However, it has been experimentally observed that ion interactions can cause a modification of Raman peak intensities and positions. The present work explores the nonlinear behavior associated with the nitrate anion, NO 3 − , which is present in abundance in low activity nuclear waste. We examine changes in the main Raman peak of the nitrate anion in the presence of other ions. A wide range of concentrations are covered, including those expected during direct-feed low-activity waste (DFLAW) processing at the Hanford site in the State of Washington. The experiments showed that the ions interact and associate to form ion pairs, which results in a blue shift (i.e., a shift towards higher wavenumbers) in the main Raman peak of nitrate. The results indicate that cation concentration is a better predictor of the peak shift, compared to ionic strength, both for binary and multicomponent mixtures. These findings have direct implications on the development of spectra-to-composition models for the DFLAW system, since they show deviations from the linearity assumptions used in common chemometric models.

42 ENGINEERING↗
DOE OSTI2016

Order-of-magnitude differences in retention of low-energy Ar implanted in Si and SiO{sub 2}

The retention of 1 and 5 keV Ar implanted at 45° in Si and 4.3 nm SiO{sub 2} on Si was studied at fluences between 3 × 10{sup 14} and 1.5 × 10{sup 16} cm{sup −2}. X-ray photoelectron spectroscopy (XPS) served to monitor the accumulation of Ar as well as the removal of SiO{sub 2}. Bombardment induced changes in oxygen chemistry caused the O 1s peak position to move toward lower binding energies by as much as 2.2 eV. Plotted versus depth of erosion, the fluence dependent changes in oxygen content, and peak position were similar at 1 and 5 keV. The Ar content of Si increased with increasing exposure, saturating at fluences of ∼2 × 10{sup 15} cm{sup −2} (1 keV) and ∼6 × 10{sup 15} cm{sup −2} (5 keV). Much less Ar was retained in the SiO{sub 2}/Si sample, notably at 1 keV, in which case the low-fluence Ar signal amounted to only 8% of the Si reference. The results imply that essentially no Ar was trapped in undamaged SiO{sub 2}, i.e., the Ar atoms initially observed by XPS were located underneath the oxide. At the lowest fluence of 5 keV Ar, the retention ratio was much higher (43%) because the oxide was already highly damaged, with an associated loss of oxygen. The interpretation was assisted by TRIM(SRIM) calculations of damage production. Partial maloperation of the ion beam raster unit, identified only at a late stage of this work, enforced a study on the uniformity of bombardment. The desired information could be obtained by determining x,y line scan profiles of O 1s across partially eroded SiO{sub 2}/Si samples. Fluence dependent Ar retention in Si was described using an extended version of the rapid relocation model which takes into account that insoluble implanted rare-gas atoms tend to migrate to the surface readily under ongoing bombardment. The range parameters required for the modeling were determined using TRIM(SRIM); sputtering yields were derived from the literature. The other three parameters determining the Ar signal, i.e., (1) the thickness w of the near-surface Si region devoid of Ar, (2) the relocation efficiency Ψ{sub rlc}, and (3) the effective attenuation length L in XPS analysis were varied within reasonable limits until the calculated retention curves for 1 and 5 keV Ar in Si agreed with experimental data to better than 8%, using the same XPS sensitivity factor throughout. Results: w = 1.4 ± 0.1 nm, Ψ{sub rlc} = 6.6 ± 0.5, and L = 2.7 ± 0.2 nm. Combining experimental and calculated data, it was found that the Ar trapping efficiency of the damaged oxide is intimately correlated with the loss of oxygen. The calculated stationary areal densities of all retained Ar are compared with results obtained by high-resolution medium-energy ion scattering spectrometry. Attractive areas of future research in rare gas retention and nanobubble formation are sketched briefly.

42 ENGINEERING↗
DOE OSTI2024

Design improvements to the SNS ion source and diagnostics

The U.S. Spallation Neutron Source (SNS) is a state-of-the-art neutron scattering facility delivering the world's most intense pulsed-neutron beams to a wide array of instruments which are used to conduct investigations in many fields of science and engineering. The accelerator system is fed by an RF-driven, multicusp, H - ion source which nominally provides pulsed beam currents of 50-60 mA (1ms, 60Hz). This report provides a discussion of ongoing design improvements to the SNS ion source and Low Energy Beam Transport (LEBT) as well as diagnostic upgrades undertaken since the previous ICIS conference. These improvements include (i) simple mechanical modifications to the source outlet aperture which resulted in dramatically increased extracted beam current and comparable or lower emittance at similar beam currents, (ii) design improvements to the LEBT chopper target which will enable full power beam-dumping during physics studies, (iii) refinement of the SNS Allison emittance scanner that has enabled the first reliable LEBT beam measurements at full beam power (65kV, 50-100mA, 1ms, 60Hz) on the SNS ion source test stand and (iv) the implementation of a thermal imaging camera for the monitoring the LEBT electrode temperatures. (v) The design of an advanced Cs system, capable of more efficient Cs utilization with significantly lower Cs losses from the source is also presented. Mechanical details, computational simulations and experimental results are discussed within the context of these improvements.

47 OTHER INSTRUMENTATION↗
NASA NTRS1991

Evidence for particle acceleration in AE Aqr from radio and X-ray observations

The novalike cataclysmic variable AE Aquarii shows evidence for radio synchrotron emission from expanding magnetized clouds. The radio and UV flare timescales are similar indicating that the central engine is located close to the white dwarf. A collisionless shock may develop above the polar cap, which may explain the observed temperature. Protons and ions accelerated up to energies of more than 1 TeV can diffuse away from the central engine, enter magnetized clouds, and generate waves which in turn heat and accelerate electrons. An embarrassing situation exists where reprocessed optical and X-ray pulsations (33 s) are observed, but the expected direct X-ray pulse from the white dwarf is absent. The standard theory for CVs cannot explain this, and one possible explanation is that a beam of relativistic protons and ions from the polar cap may give the observed reprocessed optical to X-rays in a thick target fixed in the system.

De Jager, O. C.↗
DOE OSTI2018

Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase

Protein engineering to alter recognition underlying ligand binding and activity has enormous potential. Here, ligand binding for Escherichia coli phosphoenolpyruvate carboxykinase (PEPCK), which converts oxaloacetate into CO 2 and phosphoenolpyruvate as the first committed step in gluconeogenesis, was engineered to accommodate alternative ligands as an exemplary system with structural information. From our identification of bicarbonate binding in the PEPCK active site at the supposed CO 2 binding site, we probed binding of nonnative ligands with three oxygen atoms arranged to resemble the bicarbonate geometry. Crystal structures of PEPCK and point mutants with bound nonnative ligands thiosulfate and methanesulfonate along with strained ATP and reoriented oxaloacetate intermediates and unexpected bicarbonate were determined and analyzed. The mutations successfully altered the bound ligand position and orientation and its specificity: mutated PEPCKs bound either thiosulfate or methanesulfonate but never both. Computational calculations predicted a methanesulfonate binding mutant and revealed that release of the active site ordered solvent exerts a strong influence on ligand binding. Besides nonnative ligand binding, one mutant altered the Mn 2+ coordination sphere: instead of the canonical octahedral ligand arrangement, the mutant in question had an only five-coordinate arrangement. From this work, critical features of ligand binding, position, and metal ion cofactor geometry required for all downstream events can be engineered with small numbers of mutations to provide insights into fundamental underpinnings of protein–ligand recognition. Finally, through structural and computational knowledge, the combination of designed and random mutations aids in the robust design of predetermined changes to ligand binding and activity to engineer protein function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

An Ultrafast, Durable, and High-Loading Polymer Anode for Aqueous Zinc-Ion Batteries and Supercapacitors

Zn metal has shown promise as an anode material for grid-level energy storage, yet is challenged by dendritic growth and low Coulombic efficiency. Herein, an ultrafast, stable, and high-loading polymer anode for aqueous Zn-ion batteries and capacitors (ZIBs and ZICs) is developed by engineering both the electrode and electrolyte. The anode polymer is rationally prepared to have a suitable electronic structure and a large pi-conjugated structure, whereas the electrolyte is manufactured based on the superiority of triflate anions over sulfate anions, as analyzed and confirmed via experiments and simulations. This dual engineering results in an optimal polymer anode with a low discharge potential, near-theoretical capacity, ultrahigh-loading capability (approximate to 50 mg cm -2 ), ultrafast rate (100 A g -1 ), and ultralong lifespan (one million cycles). Further, its mechanism involves reversible Zn 2+ /proton co-storage at the carbonyl site. When the polymer anode is coupled with cathodes for both ZIB and ZIC applications, the devices demonstrate ultrahigh power densities and ultralong lifespans, far surpassing those of corresponding Zn-metal-based devices.

25 ENERGY STORAGE↗
NASA NTRS1995

HZE beam transport in multilayered materials

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport in multiple-layered materials. The code is established to operate on the Langley nuclear fragmentation model used in space engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurement. Comparison with Fe-56 ion with Pb-Al and Pb-(CH2)(x) targets shows reasonable agreement.

Shinn, J. L.↗
NASA NTRS1994

HZE beam transport in multilayered materials

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport in multiple-layered materials. The code is established to operate on the Langley nuclear fragmentation model used in space engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurement. Comparison with 56Fe ion with Pb-Al and Pb-(CH2)x targets shows reasonable agreement.

NASA Discipline Radiation Health↗
DOE OSTI2026

Noninvasive mid-circuit measurement and reset on atomic qubits

Mid-circuit measurement and reset of subsets of qubits are crucial ingredients of quantum error correction and many quantum information applications. Measurement of atomic qubits is accomplished through resonant fluorescence, which typically disturbs neighboring atoms due to photon scattering. We propose and prototype a scheme for measurement and reset that provides both spatial and spectral isolation by using tightly focused laser beams and narrow atomic transitions. The unique advantage of this scheme is that all operations are applied exclusively to the read-out qubit, with little overhead and negligible disturbance to the other qubits of the same species. In this paper, we pave the way for noninvasive and high-fidelity mid-circuit measurement and demonstrate all key building blocks on a single trapped barium ion.

atomic systems↗
DOE OSTI2015

Epitaxial niobium dioxide thin films by reactive-biased target ion beam deposition

Epitaxial NbO{sub 2} thin films were synthesized on Al{sub 2}O{sub 3} (0001) substrates via reactive bias target ion beam deposition. X-ray diffraction and Raman spectra were used to confirm the tetragonal phase of pure NbO{sub 2}. Through XPS, it was found that there was a ∼1.3 nm thick Nb{sub 2}O{sub 5} layer on the surface and the bulk of the thin film was NbO{sub 2}. The epitaxial relationship between the NbO{sub 2} film and the substrate was determined. Electrical transport measurement was measured up to 400 K, and the conduction mechanism was discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

MoS 2 for beyond lithium-ion batteries

As a typical transition-metal chalcogenide material, molybdenum disulfide (MoS 2 ) has received tremendous attention because of its unique layered structure and versatile chemical, electronic, and optical properties. With the focus of this Perspective on the energy storage area, one of the most important contributions of MoS 2 is that it sparked the birth of the rechargeable lithium battery in the early 1980s, which later formed the foundation of commercial lithium batteries. After four decades, admitting that MoS 2 is still playing a significant role in the lithium-ion battery field and considerable effort was made to decipher the mechanism through ex situ and in situ studies and by means of MoS 2 nanostructure engineering that advances the lithium battery performance, it is also used in beyond lithium-ion batteries, such as sodium, magnesium, calcium, and aluminum energy storage systems. Such alternative battery systems are desirable because of the safety concerns of lithium and the depletion of lithium reserves and corresponding increase in cost. In this Perspective, recent development on the fabrication of novel MoS 2 nanostructures was discussed, followed by the scrutinization of their application in beyond lithium-ion batteries and the in situ/operando methods involved in these studies. Finally, a brief summary and outlook that may help with the future advancement of the beyond lithium-ion batteries are presented.

25 ENERGY STORAGE↗
DOE OSTI2011

Formation of nanosize structures on a silicon substrate by method of focused ion beams

The results of experimental studies of modes in which nanosize structures are formed on a silicon substrate by method of focused ion beams are presented. Dependences of the diameter and depth of the nanosize structures on the ion beam current and time of exposure to the ion beam at a point are obtained. It is demonstrated that the main factor determining the rate of ion-beam milling is the ion beam current. The results of the study can be used in the development of technological processes for the fabrication of components for nanoelectronics and nanosystems engineering.

36 MATERIALS SCIENCE↗