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All sources NASA NTRS DOE OSTI

DOE OSTI2025

Electrochemical Random-Access Memory: Progress, Perspectives, and Opportunities

Non-von Neumann computing using neuromorphic systems based on analogue synaptic and neuronal elements has emerged as a potential solution to tackle the growing need for more efficient data processing, but progress toward practical systems has been stymied due to a lack of materials and devices with the appropriate attributes. Recently, solid state electrochemical ion-insertion, also known as electrochemical random access memory (ECRAM) has emerged as a promising approach to realize the needed device characteristics. ECRAM is a three terminal device that operates by tuning electronic conductance in functional materials through solid-state electrochemical redox reactions. This mechanism can be considered as a gate-controlled bulk modulation of dopants and/or phases in the channel. Early work demonstrating that ECRAM can achieve nearly ideal analogue synaptic characteristics has sparked tremendous interest in this approach. More recently, the realization that electrochemical ion insertion can be used to tune the electronic properties of many types of materials including transition metal oxides, layered two-dimensional materials, organic and coordination polymers, and that the changes in conductance can span orders of magnitude has further attracted interest in ECRAM as the basis for analogue synaptic elements for inference accelerators as well as for dynamical devices that can emulate a wide range of neuronal characteristics for implementation in analogue spiking neural networks. At its core, ECRAM shares many fundamental aspects with rechargeable batteries, where ion insertion materials are used extensively for their ability to reversibly store charge and energy. Computing applications, however, present drastically different requirements: systems will require many millions of devices, scaled down to tens of nanometers, all while achieving reliable electronic-state tuning at scaled-up rates and endurances, and with minimal energy dissipation and noise. Further, in this review, we discuss the history, basic concepts, recent progress, as well as the challenges and opportunities for different types of ECRAM, broadly grouped by their primary mobile ionic charge carrier, including Li, protons, and oxygen vacancies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

New calculations on the ion-molecule processes C2H2(+) + H2 --> C2H3(+) + H and C2H2(+) + H2 --> C2H4+

New high-level quantum chemical calculations have been undertaken to understand the rates and mechanisms of the reactive and associative channels for the reactants C2H2(+) + H2. The reactive channel, which produces C2H3(+) + H, has been shown to be slightly endothermic, confirming earlier calculations at a somewhat lower level and in agreement with some recent experimental work. The associative channel, leading to C2H4+, has been shown to proceed via a transition state with negative energy relative to the reactants, so that association is predicted to be efficient. This result is in conflict with an earlier theoretical study but in agreement with low-temperature experimental measurements.

NASA Discipline Exobiology↗

NASA NTRS2008

Charge-Control Unit for Testing Lithium-Ion Cells

A charge-control unit was developed as part of a program to validate Li-ion cells packaged together in batteries for aerospace use. The lithium-ion cell charge-control unit will be useful to anyone who performs testing of battery cells for aerospace and non-aerospace uses and to anyone who manufacturers battery test equipment. This technology reduces the quantity of costly power supplies and independent channels that are needed for test programs in which multiple cells are tested. Battery test equipment manufacturers can integrate the technology into their battery test equipment as a method to manage charging of multiple cells in series. The unit manages a complex scheme that is required for charging Li-ion cells electrically connected in series. The unit makes it possible to evaluate cells together as a pack using a single primary test channel, while also making it possible to charge each cell individually. Hence, inherent cell-to-cell variations in a series string of cells can be addressed, and yet the cost of testing is reduced substantially below the cost of testing each cell as a separate entity. The unit consists of electronic circuits and thermal-management devices housed in a common package. It also includes isolated annunciators to signal when the cells are being actively bypassed. These annunciators can be used by external charge managers or can be connected in series to signal that all cells have reached maximum charge. The charge-control circuitry for each cell amounts to regulator circuitry and is powered by that cell, eliminating the need for an external power source or controller. A 110-VAC source of electricity is required to power the thermal-management portion of the unit. A small direct-current source can be used to supply power for an annunciator signal, if desired.

Reid, Concha M.↗

DOE OSTI2025

Structure of the D1-Val185Asn mutated photosystem II complex with slow O–O bond formation reveals changes in the Cl1 water channel

During photosynthesis, the photosystem II (PSII) enzyme catalyzes the light-driven oxidation of water, fueling life on Earth by storing light energy and releasing O 2 as a byproduct. Determining the molecular mechanism for this water oxidation reaction has been of significant interest for the development of synthetic catalysts, but many details remain elusive. One of the open questions is how protons are strategically removed from the active site, a Mn 4 CaO 5 cluster called the oxygen-evolving complex (OEC), during the reaction cycle via conserved water channels, and how proton transfer contributes to O–O bond formation energetics. Site-directed mutagenesis studies have investigated the role of conserved amino acid side chains in facilitating proton transfer. One of the most influential mutations is the Val185Asn substitution on the D1 subunit, which substantially slows O 2 release kinetics without abolishing catalytic activity. Forming a molecular understanding of how this mutation affects the active site will provide insight into the water oxidation reaction mechanism. Here, we investigated the structural basis of the Val185Asn substitution by determining a 1.99 Å-resolution cryo-EM structure. We observed that Asn185 orients away from the OEC and donates a H-bond to Cl1, a conserved chloride ion. We furthermore observed an alternative D2-Glu312-facing conformation of the D2-Lys317 side chain in the Cl1 water channel, a conformation that is consistent with recent models for proton transfer. These changes also produce perturbations to the hydrogen-bonding network. Overall, these finding provide insight into proton transfer in the Cl1 channel and its effect on the water oxidation reaction mechanism.

cryo-EM↗

NASA NTRS2004

A SIFT ion-molecule study of some reactions in Titan's atmosphere. reactions of N(+), N(2)(+), and HCN(+) with CH(4), C(2)H(2), and C(2)H(4)

The results of a study of the ion-molecule reactions of N(+), N(2)(+), and HCN(+) with methane, acetylene, and ethylene are reported. These studies were performed using the FA-SIFT at the University of Canterbury. The reactions studied here are important to understanding the ion chemistry in Titan's atmosphere. N(+) and N(2)(+) are the primary ions formed by photo-ionization and electron impact in Titan's ionosphere and drive Titan's ion chemistry. It is therefore very important to know how these ions react with the principal trace neutral species in Titan's atmosphere: Methane, acetylene, and ethylene. While these reactions have been studied before the product channels have been difficult to define as several potential isobaric products make a definitive answer difficult. Mass overlap causes difficulties in making unambiguous species assignments in these systems. Two discriminators have been used in this study to resolve the mass overlap problem. They are deuterium labeling and also the differences in reactivities of each isobar with various neutral reactants. Several differences have been found from the products in previous work. The HCN(+) ion is important in both Titan's atmosphere and in the laboratory.

Extraterrestrial Environment/chemistry↗

DOE OSTI2025

Low-mass vector-meson production at forward rapidity in 𝑝 + 𝑝 and Au + Au collisions at $\sqrt{𝑠_{𝑁⁢𝑁}}$ = 200 GeV

The PHENIX experiment at the Relativistic Heavy Ion Collider has measured low-mass vector-meson (𝜔+𝜌 and 𝜙) production through the dimuon decay channel at forward rapidity (1.2 < |y| < 2.2) in 𝑝 + 𝑝 and Au + Au collisions at $\sqrt{𝑠_{𝑁⁢𝑁}}$ = 200 GeV. The low-mass vector-meson yield and nuclear-modification factor were measured as a function of the average number of participating nucleons, ⟨𝑁 part ⟩, and the transverse momentum 𝑝 𝑇 . These results were compared with those obtained via the kaon decay channel in a similar 𝑝 𝑇 range at midrapidity. The nuclear-modification factors in both rapidity regions are consistent within the uncertainties. A comparison of the 𝜔 + 𝜌 and 𝐽/𝜓 mesons reveals that the light and heavy flavors are consistently suppressed across both 𝑝 𝑇 and ⟨𝑁 part ⟩. Finally, in contrast, the 𝜙 meson displays a nuclear-modification factor consistent with unity, suggesting strangeness enhancement in the medium formed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

A theoretical overview of isospin and EOS effects in heavy-ion reactions at intermediate energies

The isospin dependence of in-medium nuclear effective interactions is a fundamental issue in nuclear physics and has broad ramifications in astrophysics. Its uncertainties, especially the difference of neutron-proton interactions in the isosinglet and isotriplet channels, affect significantly the density and momentum dependence of the isovector single-nucleon potential and nucleon-nucleon short-range correlation in neutron-rich matter. Consequently, the neutron-proton effective mass splitting and the density dependence of nuclear symmetry energy are still rather uncertain. Heavy-ion reactions, especially those involving rare isotopes, are a useful tool for probing the isospin dependence of nuclear effective interactions through 1) the neutron-skin in coordinate and proton-skin in momentum of the initial state of colliding nuclei, 2) the density and momentum dependence of especially the isovector nuclear mean-field as well as 3) the isospin dependence of in-medium nucleon-nucleon cross sections. Observations of neutron stars especially since GW1710817 have also helped us significantly in understanding the isospin dependence of nuclear effective interactions. We summarize here a review talk on these issues given at the 2021 International Workshop on multi-facets of EOS and Clustering. For details we refer the readers to the original publications and references therein.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

A multi-channel x-ray temporal diagnostic for measurement of time-resolved electron temperature in cryogenic deuterium–tritium implosions at OMEGA

Electron-temperature (T e ) measurements in implosions provide valuable diagnostic information, as Te is unaffected by residual flows and other non-thermal effects unlike ion temperature inferred from a fusion product spectrum. In OMEGA cryogenic implosions, measurement of T e (t) can be used to investigate effects related to time-resolved hot-spot energy balance. The proposed diagnostic utilizes five fast-rise (~15 ps) scintillator channels with distinct x-ray filtering. Furthermore, titanium and stepped aluminum filtering were chosen to maximize detector sensitivity in the 10 keV–20 keV range, as it has been shown that these x rays have similar density and temperature weighting to the emitted deuterium–tritium fusion neutrons. Initial data collected using a prototype nosecone on the existing neutron temporal diagnostic demonstrate the validity of this diagnostic technique. The proposed system will be capable of measuring spatially integrated T e (t) with 20 ps time resolution and <10% uncertainty at peak emission in cryogenic DT implosions.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Antiferromagnetic Inverse Spinel Oxide LiCoVO 4 with Spin-Polarized Channels for Water Oxidation

Exploring highly efficient catalysts for the oxygen evolution reaction (OER) is essential for water electrolysis. Cost-effective transition-metal oxides with reasonable activity are raising attention. Recently, OER reactants' and products' differing spin configurations have been thought to cause slow reaction kinetics. Catalysts with magnetically polarized channels could selectively remove electrons with opposite magnetic moment and conserve overall spin during OER, enhancing triplet state oxygen molecule evolution. Herein, antiferromagnetic inverse spinel oxide LiCoVO 4 is found to contain d 7 Co 2+ ions that can be stabilized under active octahedral sites, possessing high spin states S = 3/2 (t 2g 5 e g 2 ). With high spin configuration, each Co 2+ ion has an ideal magnetic moment of 3 µ B , allowing the edge-shared Co 2+ octahedra in spinel to be magnetically polarized. Density functional theory simulation results show that the layered antiferromagnetic LiCoVO 4 studied contains magnetically polarized channels. The average magnetic moment (µ ave ) per transition-metal atom in the spin conduction channel is around 2.66 µ B . Such channels are able to enhance the selective removal of spin-oriented electrons from the reactants during the OER, which facilitates the accumulation of appropriate magnetic moments for triplet oxygen molecule evolution. Finally, the LiCoVO 4 reported has been identified as an oxide catalyst with excellent OER activity.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Anion-exchange membranes with internal microchannels for water control in CO 2 electrolysis

Electrochemical reduction of carbon dioxide (CO 2 R) poses substantial promise to convert abundant feedstocks (water and CO 2 ) to value-added chemicals and fuels using solely renewable energy. However, recent membrane-electrode assembly (MEA) devices that have been demonstrated to achieve high rates of CO 2 R are limited by water management within the cell, due to both consumption of water by the CO 2 R reaction and electro-osmotic fluxes that transport water from the cathode to the anode. Additionally, crossover of potassium (K + ) ions poses concern at high current densities where saturation and precipitation of the salt ions can degrade cell performance. Herein, a device architecture incorporating an anion-exchange membrane (AEM) with internal water channels to mitigate MEA dehydration is proposed and demonstrated. A macroscale, two-dimensional continuum model is used to assess water fluxes and local water content within the modified MEA, as well as to determine the optimal channel geometry and composition. The modified AEMs are then fabricated and tested experimentally, demonstrating that the internal channels can both reduce K + cation crossover as well as improve AEM conductivity and therefore overall cell performance. This work demonstrates the promise of these materials, and operando water-management strategies in general, in handling some of the major hurdles in the development of MEA devices for CO 2 R.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Angle-resolved polarized Raman spectroscopy study of phosphorene nanoribbons

We present a systematic angle-resolved polarized Raman spectroscopy (ARPRS) study of black phosphorus (BP) nanostructures formed via electrochemical sodium- and lithium-ion intercalation. Sodium intercalation leads to bundles of densely packed, highly uniform phosphorene nanoribbons (PNRs) separated by parallel amorphous channels, whereas lithium intercalation results in shorter, irregular nanoribbon-like segments with lower aspect ratios. In both cases, six additional Raman peaks (P1–P6) appear alongside the three primary Raman-active modes of BP (A$^{1}_{g}$, B 2g , and A$^{2}_{g}$). These peaks are attributed to the amorphous regions, as confirmed by their isotropic angular dependence in ARPRS measurements. The three BP modes show pronounced angular variations that differ significantly between the two intercalated samples. In sodium-intercalated BP, A$^{1}_{g}$ and A$^{2}_{g}$ modes retain a dumbbell-like angular dependence under parallel polarization with enhanced anisotropy and reduced symmetry under crossed polarization. At the same time, the B 2g mode transitions from four-lobed (cloverleaf) polar plot to a butterfly-like one. In contrast, lithium-intercalated BP exhibits weaker anisotropy and less distinct angular polar plots for all three modes. These differences reflect the sensitivity of phonon behavior to underlying nanostructure morphology. The vibrational frequencies density of states (FDOS) calculations attribute the B 2g mode transformation to phonon band folding and mode mixing in PNRs. This study demonstrates the power of ARPRS in probing phonon-structure relationships and highlights the influence of edge geometry and quantum confinement on phonon dispersion in PNRs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS2015

NASA Capabilities that Could Impact Terrestrial Smart Grids of the Future

Incremental steps to steadily build, test, refine, and qualify capabilities that lead to affordable flight elements and a deep space capability. Potential Deep Space Vehicle Power system characteristics: power 10 kilowatts average; two independent power channels with multi-level cross-strapping; solar array power 24 plus kilowatts; multi-junction arrays; lithium Ion battery storage 200 plus ampere-hours; sized for deep space or low lunar orbit operation; distribution120 volts secondary (SAE AS 5698); 2 kilowatt power transfer between vehicles.

Power systems↗

DOE OSTI2025

Calculation of ion–ion mutual neutralization rate constants using Landau–Zener theory coupled with trajectory simulations for Ar + –Cl − , Br − , I −

In this computational study, we self-consistently calculate the rate constants of mutual neutralization reactions by incorporating the electron transfer probability, using Landau–Zener state transition theory with inputs derived from ab initio quantum chemistry calculations, into classical trajectory simulations. Electronic structure calculations are done using correlation consistent basis sets with multi-reference configuration interaction to map all the molecular electronic states below the ion-dissociation limit as a function of the distance between the reacting species. Our electronic structure calculations have been significantly improved from our previous work through improved selection of molecular electronic configurations maintaining a fine grid of 1a 0 over a wide range of bond lengths and accurate treatment of spin–orbit couplings. Non-adiabatic coupling matrix elements are calculated with the three-point central difference method near each avoided crossing to estimate the exact crossing point R x and coupling parameter H if , which are inputs to the multi-channel Landau–Zener theory to calculate the electron transition probability. Our approach is applied to estimate the mutual neutralization rate constants for the following ion pairs: Ar + –Cl − , Ar + –Br − , Ar + –I − at ∼133 Pa. Furthermore, our predictions are compared against the experimental data reported. It is seen that the improvement in the electronic structure calculation results in excellent agreement between the simulation results and the available experimental data to within a factor of ∼2 or ∼±50%.

Complete-active space self-consistent field↗

DOE OSTI2024

Reducing Ohmic Resistances in Membrane Capacitive Deionization Using Micropatterned Ion-Exchange Membranes, Ionomer Infiltrated Electrodes, and Ionomer-Coated Nylon Meshes

Membrane capacitive deionization (MCDI) is an emerging water desalination platform that is compact, electrified, and does not require high-pressure piping. Herein, highly conductive poly(phenylene alkylene) ion-exchange membranes (IEMs) are micropatterned with different surface geometries for MCDI. The micropatterned membranes increase the interfacial area with the liquid stream leading to a 700 mV reduction in cell voltage when operating at constant current (2 mA cm -2 ; 2000 ppm NaCl feed) while improving the energy normalized adsorbed salt (ENAS) value by 1.4 times. Combining the micropatterned poly(phenylene alkylene) IEMs with poly(phenylene alkylene) ionomer-filled electrodes reduces the cell voltage by 1000 mV and improves the ENAS values by 2.3 times relative to the base case. This reduction in cell voltage allows for higher current density operation (i.e., 3–4 mA cm -2 ) . The reduction in cell voltage is ascribed to the ameliorating ohmic resistances related to ion transport at the membrane-process stream interface and in the carbon cloth electrode. Finally, porous ionic conductors are implemented into the spacer channel with flat and micropatterned IEM configurations and ionomer infiltrated electrodes. For the configuration with flat IEMs, the porous ionic conductor improves ENAS values across the current density regime (2–4 mA cm -2 ), while for micropatterned IEMs it gets improved only at 4 mA cm -2 .

42 ENGINEERING↗

NASA NTRS1991

Heavy-ion induced single-event upset in integrated circuits

The cosmic ray environment in space can affect the operation of Integrated Circuit (IC) devices via the phenomenon of Single Event Upset (SEU). In particular, heavy ions passing through an IC can induce sufficient integrated current (charge) to alter the state of a bistable circuit, for example a memory cell. The SEU effect is studied in great detail in both static and dynamic memory devices, as well as microprocessors fabricated from bipolar, Complementary Metal Oxide Semiconductor (CMOS) and N channel Metal Oxide Semiconductor (NMOS) technologies. Each device/process reflects its individual characteristics (minimum scale geometry/process parameters) via a unique response to the direct ionization of electron hole pairs by heavy ion tracks. A summary of these analytical and experimental SEU investigations is presented.

Zoutendyk, J. A.↗

DOE OSTI2024

Controlling Ion Uptake in Carboxylated Mixed Conductors

Organic mixed ionic‐electronic conductors (OMIECs) have garnered significant attention due to their capacity to transport both ions and electrons, making them ideal for applications in energy storage, neuromorphics, and bioelectronics. However, charge compensation mechanisms during the polymer redox process remain poorly understood, and are often oversimplified as single‐ion injection with little attention to counterion effects. To advance understanding and design strategies toward next‐generation OMIEC systems, a series of p‐channel carboxylated mixed conductors is investigated. Varying side‐chain functionality, distinctive swelling character is uncovered during electrochemical doping/dedoping with model chao‐/kosmotropic electrolytes. Carboxylic acid functionalized polymers demonstrate strong deswelling and mass reduction during doping, indicating cation expulsion, while ethoxycarbonyl counterparts exhibit prominent mass increase, pointing to an anion‐driven doping mechanism. By employing operando grazing incidence X‐ray fluorescence (GIXRF), it is revealed that the carboxyl functionalized polymer engages in robust cation interaction, whereas ester functionalization shifts the mechanism towards no cation involvement. It is demonstrated that cations are pivotal in mitigating swelling by counterbalancing anions, enabling efficient anion uptake without compromising performance. These findings underscore the transformative influence of functionality‐driven factors and side‐chain chemistry in governing ion dynamics and conduction, providing new frameworks for designing OMIECs with enhanced performance and reduced swelling.

carboxylated polythiophenes↗

DOE OSTI2023

Novel Structural Motif To Promote Mg-Ion Mobility: Investigating ABO 4 Zircons as Magnesium Intercalation Cathodes

There is an increasing need for sustainable energy storage solutions as fossil fuels are replaced by renewable energy sources. Multivalent batteries, specifically Mg batteries, are one energy storage technology that researchers continue to develop with hopes to surpass the performance of Li-ion batteries. However, the limited energy density and transport properties of Mg cathodes remain critical challenges preventing the realization of high-performance multivalent batteries. In this work, ABO 4 zircon materials (A = Y, Eu and B = V, Cr) are computationally and experimentally evaluated as Mg intercalation cathodes. Remarkably good Mg-ion transport properties were predicted and Mg-ion intercalation was experimentally verified in sol-gel synthesized zircon YVO 4 , EuVO 4 , and EuCrO 4 . Among them, EuVO 4 exhibited the best electrochemical performance and demonstrated repeated reversible cycling. While we believe that the one-dimensional diffusion channels and redox-active species tetragonal coordination limit the value of many zircons as high-performance cathodes, their unique structural motif of overlapping polyhedra along the diffusion pathway appears instrumental for promoting good Mg-ion mobility. The motif results in a favorable "6-5-4" change in coordination that avoids unfavorable sites with lower coordination along the diffusion pathway and a structural design metric for future Mg cathode development.

25 ENERGY STORAGE↗

DOE OSTI2022

Log-N/Period Sensitivity Analysis

The Log-N/Period system utilizes a compensated ion chamber to measure neutron radiation in the reactor core. This analysis focuses on determining a more accurate value for the sensitivity of the installed compensated ion chambers for the Log-N/Period system at the ATR. Using calibration procedures a formula for indirectly calculating the sensitivity of the chambers was derived. Using historical data from approximately ten reactor cycles a new average sensitivity for both channels of the Log-N/Period system was determined.

42 ENGINEERING↗