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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Role of optical computers in aeronautical control applications

The role that optical computers play in aircraft control is determined. The optical computer has the potential high speed capability required, especially for matrix/matrix operations. The optical computer also has the potential for handling nonlinear simulations in real time. They are also more compatible with fiber optic signal transmission. Optics also permit the use of passive sensors to measure process variables. No electrical energy need be supplied to the sensor. Complex interfacing between optical sensors and the optical computer is avoided if the optical sensor outputs can be directly processed by the optical computer.

Baumbick, R. J.↗
DOE OSTI2022

Nitrogen plasma passivated niobium resonators for superconducting quantum circuits

Microwave loss in niobium metallic structures used for superconducting quantum circuits is limited by a native surface oxide layer formed over a timescale of minutes when exposed to an ambient environment. Here, in this work, we show that nitrogen plasma treatment forms a niobium nitride layer at the metal–air interface, which prevents such oxidation. X-ray photoelectron spectroscopy confirms the doping of nitrogen more than 5 nm into the surface and a suppressed oxygen presence. This passivation remains stable after aging for 15 days in an ambient environment. Cryogenic microwave characterization shows an average filling-factor-adjusted two-level-system loss tangent Fδ TLS of (2.9±0.5)·10 –7 for resonators with a 3 μm center strip and (1.0±0.3)·10 –7 for a 20 μm center strip, exceeding the performance of unpassivated samples by a factor of four.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1995

Design of a three-layer antireflection coating for high efficiency indium phosphide solar cells using a chemical oxide as first layer

It is well known that the behavior of III-V compound based solar cells is largely controlled by their surface, since the majority of light generated carriers (63% for GaAs and 79% for InP) are created within 0.2 mu m of the surface of the illuminated cell. Consequently, the always observed high surface recombination velocity (SRV) on these cells is a serious limiting factor for their high efficiency performance, especially for those with p-n junction made by either thermal diffusion or ion implantation. A good surface passivation layer, ideally a grown oxide as opposed to a deposited one, will cause a significant reduction in the SRV without adding interface problems, thus improving the performance of III-V compound based solar cells. Another significant benefit to the overall performance of the solar cells can be achieved by a substantial reduction of their large surface optical reflection by the use of a well designed antireflection (AR) coating. In this paper, we demonstrate the effectiveness of using a chemically grown thermally and chemically stable oxide, not only for surface passivation but also as an integral part of a 3-layer AR coating for thermally diffused p+n InP solar cells. A phosphorus-rich interfacial oxide, In(PO3)3, is grown at the surface of the p+ emitter using an etchant based on HNO3, o-H3PO4 and H2O2. This oxide has the unique properties of passivating the surface as well as serving as an efficient antireflective layer yielding a measured record high AMO open-circuit voltage of 890.3 mV on a thermally diffused InP(Cd,S) solar cell. Unlike conventional single layer AR coatings such as ZnS, Sb2O3, SiO or double layer AR coatings such as ZnS/MgF2 deposited by e-beam or resistive evaporation, this oxide preserves the stoichiometry of the InP surface. We show that it is possible to design a three-layer AR coating for a thermally diffused InP solar cell using the In(PO3)3 grown oxide as the first layer and Al2O3 and MgF2 as the second and third layers respectively, so as to yield an overall theoretical reflectance of less than 2%. Since chemical oxides are readily grown on III-V semiconductors materials, the technique of using the grown oxide layer to both passivate the surface as well as serve as the first of a multilayer AR coating should work well for all III-V compound-based solar cells.

Moulot, Jacques↗
NASA NTRS1995

Design of a Three-Layer Antireflection Coating for High Efficiency Indium Phosphide Solar Cells Using a Chemical Oxide as First Layer

It is well known that the behavior of III-V compound based solar cells is largely controlled by their surface, since the majority of light generated carriers (63% for GaAs and 79% for InP) are created within 0.2 microns of the illuminated surface of the cell. Consequently, the always observed high surface recombination velocity (SRV) on these cells is a serious limiting factor for their high efficiency performance, especially for those with the p-n junction made by either thermal diffusion or ion implantation. A good surface passivation layer, ideally, a grown oxide as opposed to a deposited one, will cause a significant reduction in the SRV without adding interface problems, thus improving the performance of III-V compound based solar cells. Another significant benefit to the overall performance of the solar cells can be achieved by a substantial reduction of their large surface optical reflection by the use of a well designed antireflection (AR) coating. In this paper, we demonstrate the effectiveness of using a chemically grown, thermally and chemically stable oxide, not only for surface passivation but also as an integral part of a 3- layer AR coating for thermally diffused p(+)n InP solar cells. A phosphorus-rich interfacial oxide, In(PO3)3, is grown at the surface of the p(+) emitter using an etchant based on HNO3, o-H3PO4 and H2O2. This oxide has the unique properties of passivating the surface as well as serving as a fairly efficient antireflective layer yielding a measured record high AM0, 25 C, open-circuit voltage of 890.3 mV on a thermally diffused InP(Cd,S) solar cell. Unlike conventional single layer AR coatings such as ZnS, Sb2O3, SiO or double layer AR coatings such as ZnS/MgF2 deposited by e-beam or resistive evaporation, this oxide preserves the stoichiometry of the InP surface. We show that it is possible to design a three-layer AR coating for a thermally diffused InP solar cell using the In(PO3)3 grown oxide as the first layer and Al2O3, MgF2 or ZnS, MgF2 as the second and third layers respectively, so as to yield an overall theoretical reflectance of less than 2%. Since chemical oxides are readily grown on III-V semiconductor materials, the technique of using the grown oxide layer to both passivate the surface as well as serve as the first of a multilayer AR coating, should work well for essentially all III-V compound-based solar cells.

Moulot, Jacques↗
DOE OSTI2026

Ionic Interdiffusion at Cathode|Solid-Electrolyte Interface: A Machine Learning–Assisted Multiscale Investigation and Mitigation Strategies

Future lithium batteries are expected to use solid electrolytes to achieve higher energy density and fast charge capabilities. However, most solid electrolytes are thermodynamically unstable against layered oxide cathodes. In this study, the stability of LiCoO2 (LCO) cathode with Li10GeP2S12 (LGPS) solid electrolyte is investigated using ab initio molecular dynamics (AIMD) and machine learning molecular dynamics (MLMD). The propensity of ionic interdiffusion, formation of a passivating interphase layer, and corresponding decay in cell performance is addressed using a continuum model. Large-scale MLMD simulations confirm that the LCO|LGPS interface permits interdiffusion of cobalt (Co) and other ionic species, leading to the formation and growth of a resistive interphase and to dramatic capacity fade even in the first cycle. We examine the literature evidence that incorporating a thin layer of LiNb0.5Ta0.5O3 (LNTO) between LCO and LGPS prevents the interdiffusion of ions. Atomistic simulations suggest that substituting lithium (Li) in LNTO with Co is thermodynamically unfavorable, thereby inhibiting ionic interdiffusion. The stable Nb5+/Ta5+ states form a rigid metal-oxide framework, which consequently also prevents the substitution of niobium (Nb) or tantalum (Ta). However, continuum-level analysis suggests that the higher mechanical stiffness of LNTO can lead to interfacial delamination between the LCO and LNTO. This phenomenon reduces the effectiveness of the protective layer. This paper, therefore, highlights the need to develop novel interlayers that balance low ionic interdiffusion with low mechanical stiffness.

Ncube, Musawenkosi K.↗
DOE OSTI2022

Reduced Surface Recombination Velocity in Mixed-Cation Mixed-Halide Hybrid Perovskite Devices Leads to Improved Open-Circuit Voltage

Surface recombination plays an important role in perovskite solar cell performance.Despite rapid progress, the record power conversion efficiency (PCE, ~ 25.7%) for perovskite single-junction solar cells still lags behind its theoretical limit (~ 32%), largely due to the open circuit voltage (VOC) deficit that results from non-radiative recombination at the bulk of perovskite films and the interfaces between perovskite and transport layers. In this work, we show that (3-aminopropyl)trimethoxysilane (APTMS) surface passivation can reduce the surface recombination velocities (SRVs) of perovskite solar cells, thus improving device VOC and PCE.

perovskite solar cell, surface recombination, surf↗
NASA NTRS2005

LabVIEW Interface for PCI-SpaceWire Interface Card

This software provides a LabView interface to the NT drivers for the PCISpaceWire card, which is a peripheral component interface (PCI) bus interface that conforms to the IEEE-1355/ SpaceWire standard. As SpaceWire grows in popularity, the ability to use SpaceWire links within LabVIEW will be important to electronic ground support equipment vendors. In addition, there is a need for a high-level LabVIEW interface to the low-level device- driver software supplied with the card. The LabVIEW virtual instrument (VI) provides graphical interfaces to support all (1) SpaceWire link functions, including message handling and routing; (2) monitoring as a passive tap using specialized hardware; and (3) low-level access to satellite mission-control subsystem functions. The software is supplied in a zip file that contains LabVIEW VI files, which provide various functions of the PCI-SpaceWire card, as well as higher-link-level functions. The VIs are suitably named according to the matching function names in the driver manual. A number of test programs also are provided to exercise various functions.

Lux, James↗
NASA NTRS2012

RFI Risk Reduction Activities Using New Goddard Digital Radiometry Capabilities

The Goddard Radio-Frequency Explorer (GREX) is the latest fast-sampling radiometer digital back-end processor that will be used for radiometry and radio-frequency interference (RFI) surveying at Goddard Space Flight Center. The system is compact and deployable, with a mass of about 40 kilograms. It is intended to be flown on aircraft. GREX is compatible with almost any aircraft, including P-3, twin otter, C-23, C-130, G3, and G5 types. At a minimum, the system can function as a clone of the Soil Moisture Active Passive (SMAP) ground-based development unit [1], or can be a completely independent system that is interfaced to any radiometer, provided that frequency shifting to GREX's intermediate frequency is performed prior to sampling. If the radiometer RF is less than 200MHz, then the band can be sampled and acquired directly by the system. A key feature of GREX is its ability to simultaneously sample two polarization channels simultaneously at up to 400MSPS, 14-bit resolution each. The sampled signals can be recorded continuously to a 23 TB solid-state RAID storage array. Data captures can be analyzed offline using the supercomputing facilities at Goddard Space Flight Center. In addition, various Field Programmable Gate Array (FPGA) - amenable radiometer signal processing and RFI detection algorithms can be implemented directly on the GREX system because it includes a high-capacity Xilinx Virtex-5 FPGA prototyping system that is user customizable.

Bradley, Damon↗
DOE OSTI2021

Robust passivation of CdSeTe based solar cells using reactively sputtered magnesium zinc oxide

Magnesium zinc oxide (MZO, Mg x Zn 1-x O) is a leading emitter for CdTe-based solar cells due to its transparency and the ability to tune its conduction band offset with the absorber. Devices employing alloyed cadmium selenide telluride (CST, CdSe y Te 1-y ) absorbers achieved high efficiency (>19%) using MZO deposited by reactive sputtering over a broad composition range (3.68–3.92 eV, x: 0.20–0.35). Minimal differences in implied and measured open circuit voltage indicate that the contacts are well passivated and highly selective across the spectrum of MZO employed. Device performance insensitivity to MZO composition, which is not observed in CdTe devices, is attributed to the formation of an oxygenated interface layer. Se volatility creates a group VI deficiency at the interface that drives O migration from the MZO into the absorber. This introduces conductivity in the emitter not present in its as-deposited state, contributing to the exceptional performance observed. It is shown that the quality of device passivation depends on the oxidation state of the as-deposited MZO such that intelligent control and management of the reactive sputtering process is required.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of Surface Texture on Pinhole Formation in SiO x -Based Passivated Contacts for High-Performance Silicon Solar Cells

High-efficiency silicon solar cells rely on some form of passivating contact structure to reduce recombination losses at the crystalline silicon surface and losses at the metal/Si contact interface. One such structure is polycrystalline silicon (poly-Si) on oxide, where heavily doped poly-Si is deposited on a SiO x layer grown directly on the crystalline silicon (c-Si) wafer. Depending on the thickness of the SiO x layer, the charge carriers can cross this layer by tunneling (<2 nm SiO x thickness) or by direct conduction through disruptions in the SiOx, often referred to as pinholes, in thicker SiO x layers (>2 nm). In this work, we study structures with tunneling- or pinhole-like SiO x contacts grown on pyramidally textured c-Si wafers and expose variations in the SiOx layer properties related to surface morphology using electron-beam-induced current (EBIC) imaging. Using EBIC, we identify and mark regions with potential pinholes in the SiO x layer. We further perform high-resolution transmission electron microscopy on the same areas, thus allowing us to directly correlate locally enhanced carrier collection with variations in the structure of the SiO x layer. Our results show that the pinholes in the SiO x layer preferentially form in different locations based on the annealing conditions used to form the device. With greater understanding of these processes and by controlling the surface texture geometry, there is potential to control the size and spatial distribution of oxide disruptions in silicon solar cells with poly-Si on oxide-type contacts; usually, this is a random phenomenon on polished or planar surfaces. Such control will enable us to consistently produce high-efficiency devices with low recombination currents and low junction resistances using this contact structure.

14 SOLAR ENERGY↗
DOE OSTI2024

Tailoring Interfaces for Enhanced Methanol Production from Photoelectrochemical CO 2 Reduction

Efficient and stable photoelectrochemical reduction of CO 2 into highly reduced liquid fuels remains a formidable challenge, which requires an innovative semiconductor/catalyst interface to tackle. In this study, we introduce a strategy involving the fabrication of a silicon micropillar array structure coated with a superhydrophobic fluorinated carbon layer for the photoelectrochemical conversion of CO 2 into methanol. The pillars increase the electrode surface area, improve catalyst loading and adhesion without compromising light absorption, and help confine gaseous intermediates near the catalyst surface. The superhydrophobic coating passivates parasitic side reactions and further enhances local accumulation of reaction intermediates. Upon one-electron reduction of the molecular catalyst, the semiconductor–catalyst interface changes from adaptive to buried junctions, providing a sufficient thermodynamic driving force for CO 2 reduction. These structures together create a unique microenvironment for effective reduction of CO 2 to methanol, leading to a remarkable Faradaic efficiency reaching 20% together with a partial current density of 3.4 mA cm –2 , surpassing the previous record based on planar silicon photoelectrodes by a notable factor of 17. Furthermore, this work demonstrates a new pathway for enhancing photoelectrocatalytic CO 2 reduction through meticulous interface and microenvironment tailoring and sets a benchmark for both Faradaic efficiency and current density in solar liquid fuel production.

14 SOLAR ENERGY↗
NASA NTRSDate not supplied

Testing of a Multi-Stringer Post-Buckled Panel with Incremental Damage Detection

A multi-stringer panel was designed and tested to produce a failure mode of skin-stiffener delamination due to compression loading of a post-buckled skin to support the validation of high-fidelity progressive damage failure analysis modeling. The test procedure included multiple methods of data acquisition ranging from multiple strain gages, front and back digital image correlation, passive thermography, acoustic emission, and ultrasonic inspection to capture key events and damage progression prior to catastrophic failure. Detailed data showing the initial stiffness, onset of skin buckling, buckled mode shape, damage initiation load, damage propagation morphology, and peak load was captured. Two panel configurations were tested. The first had a Teflon insert placed in the interface between the skin and the stiffener flanges adjacent to the center skin bay. The second was subjected to impact damage to the skin-stiffener flange. In each case, continuously-loaded-to-failure tests were conducted first with passive thermography being used exclusively to determine key damage events. Then, incrementally loaded tests were completed where ultrasonic inspections were conducted between each increment. The amount of load applied between each increment was determined based on the in-situ damage detection provided by the passive thermography system. The results of the testing showed a complex delamination growth pattern which migrated between ply interfaces through matrix splits in the upper skin ply of the panel. The result of the testing produced very detailed data which will prove to be useful for validation of delamination growth and migration predictions from progressive damage failure analysis methods.

Jason Action↗
DOE OSTI2020

Emerging Potassium Metal Anodes: Perspectives on Control of the Electrochemical Interfaces

Potassium metal acts as the anode in emerging potassium metal batteries (KMBs). It further serves as the counter-electrode for potassium ion battery (KIB) half-cells, with its reliable performance being critical for assessing the working electrode material. This first-of-its-kind critical review focuses on the dual challenge of controlling the potassium metal-substrate and the potassium metal-electrolyte interface so as to prevent dendrites. The discussion begins with a comparison of the physical and chemical properties of K metal anodes versus the much oft studied Li and Na metal anodes. Based on established descriptions for root causes of dendrites, the problem should be less severe for K than for Li or Na, while in fact the opposite is observed. The key reason that the K metal surface rapidly becomes dendritic in common electrolytes is its unstable solid electrolyte interphase (SEI). An unstable SEI layer is defined as being non self-passivating. No SEI is perfectly stable during cycling, and all SEI structures are heterogenous both vertically and horizontally relative to the electrolyte interface. The difference between a "stable" and an "unstable" SEI may be viewed as the relative degree to which during cycling it thickens and becomes further heterogeneous. The unstable SEI on K metal leads to a number of interrelated problems, such as low cycling Coulombic efficiency (CE), a severe impedance rise, large overpotentials, and possibly electrical shorting; all of which have been reported to occur as early as in the first ten plating/stripping cycles. Many of the traditional "interface fixes" employed for Li and Na metal anodes, such as various artificial SEIs, surface membranes, barrier layers, the secondary separators, etc. have not been attempted or optimized for the case of K. This is an important area for further exploration, with an understanding that success may come harder than with Li due to K-based SEI reactivity with both ether and ester solvents. The second critical problem with K metal anodes is that they do not thermally or electrochemically wet a standard (untreated) Cu foil current collector. Published experimental and modeling research directly highlights the weak bonding between the K atoms and a Cu surface. Existing surface treatment approaches that achieve improved K wetting are discussed, along with the general design rules for future studies. Also discussed are geometry-based methods to tune nucleation, as well dual approaches where nucleation and SEI structure are tuned through complementary schemes to achieve extended half-cell and full battery stability. We hypothesize that K metal never achieves a planar wetting morphology even at cycle one making the dendrites "baked-in". We propose that classical thin films growth models, Frank van der Merwe (F-M), Volmer Weber (V-W), and Stranski-Krastanov (S-K) can be employed to describe early stage plating behavior. It is demonstrated that island-like V-W growth is the applicable description for the natural plating behavior of K on pristine Cu. Moving forward, there are three inter-related thrusts to be pursued: First, K salt - based electrolyte formulations have to mature and become further tailored to handle the increased reactivity of a metal rather than an ion anode. Second, the K-based SEI structure needs to be further understood and ultimately tuned to be less reactive. Third, the energetics of the K metal - current collector interface must be controlled to promote planar wetting/dewetting throughout cycling.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Delay Tolerant, Radio Frequency Identification (RFID )-enabled Sensing

Radio Frequency Identification (RFID) technology offers a completely passive method to transmit fixed data sequences from an RFID tag, which typically doesn’t have its own power supply, to an interrogator. Radio frequency (RF) energy harvested from the interrogator is rectified by the tag and used to charge an integrated circuit (IC). The IC then modulates the received signal with the data stored on the tag and reflects the energy back to the interrogator. RFID has seen great proliferation in terrestrial inventory management applications, and it has recently made the jump to spaceflight applications onboard the International Space Station, augmenting an existing optical bar‐code infrastructure for tracking supplies. A number of advanced automated logistics management (ALM) concepts employing RFID are currently being developed and evaluated, including so‐called “smart” shelves, cubbies, and trash receptacles using low‐power, embeddable RFID interrogators. An infrastructure where both crew members and robotic assistants, such as autonomous free flyers, are similarly equipped with small RFID interrogators seems likely. It therefore behooves us to consider extending this infrastructure beyond ALM to applications such as low power, embedded sensing. Typically, data on an RFID tag can only be written by an RFID interrogator, using interrogator energy. In recent years, however, a few efforts have focused on using that energy to drive data acquisition from the tag IC, allowing the tag to modify its stored data sequence with sensor data before replying to an interrogator. In this way, the tag can act as a completely passive sensing device. One problem exists with this approach, however: the tag cannot gather data when an interrogator is not present. Thus, strictly passive RFID sensing tags cannot gather data at regular intervals, in the manner of a typical wireless sensor network, without careful, and impractical, planning of mobile interrogator movements. To address this shortcoming, we look to a recent advance in RFID technology which allows an external microprocessor to power the tag IC and write directly into its RFID memory using a wired serial interface. In this paradigm, data gathering is driven by a small, on‐board power supply (using batteries or harvested energy), and data transfer is provided passively through the RFID interrogation service. Since communication typically consumes the lion’s share of power in WSNs, such a technique has the potential to enable extremely long‐lived, embedded wireless sensing when used with extremely low‐current microcontrollers. Since the communication channel is only open when an interrogator is present and actively interrogating the RFID sensing tag, transport of periodically‐sampled sensor data presents itself as a delay/disruption‐tolerant networking (DTN) problem. In this paper, we present the design of a DTN‐like overlay on the common EPC Global, Class 1, Generation 2 RFID standard. This overlay allows seamless, guaranteed data transfer using the EPC Global protocol, supporting extremely low‐power, embedded sensing using an infrastructure likely to be already in place for ALM applications. We evaluate a prototype implementation of a complete end‐to‐end system using a robotic RFID interrogation agent, and we present future directions for the development of this sensing technique.

Raymond S. Wagner↗
DOE OSTI2021

Potassium isotopic fractionation in a humid and an arid soil–plant system in Hawai‘i

Plants play a critical role in the cycling of potassium (K) and the fractionation of its isotopes. However, little is known about K stable isotopic compositions in natural soil–plant systems and possible fractionation during intra-plant transport and root-soil uptake of K. Herein this study focuses on K isotopic fractionation within a humid and an arid soil–plant system sampled on the windward and leeward sides of Kohala Mountain, Hawai‘i. We determined the K isotopic compositions of < 2-mm bulk soil, soil saturation extraction, and selected plant tissues by multi-collector inductively coupled plasma mass spectrometry and X-ray absorption spectroscopy. We studied soils and individual tissue samples such as roots, stems, barks, shoots (a sum of stems and fresh leaves), leaves (fresh and dead), seeds, and flowers of trees and grasses. The results demonstrated that: (i) tissue δ 41 K values ranged from –1.06 ± 0.06 to 1.15 ± 0.09‰; (ii) within the same plant, stems (barks), dead leaves, and reproductive tissues (flowers and seeds) were isotopically lighter compared to fresh leaves, and to a lesser extent, roots; (iii) δ 41 K values of the humid soil (-0.54 ± 0.07 to –0.49 ± 0.06‰) were lower than those of the arid soil (-0.24 ± 0.07 to –0.14 ± 0.06‰); and (iv) soil bioavailable pool δ 41 K (saturation extracts) ranged from –0.63 ± 0.08 to 0.34 ± 0.08‰ and 0.48 ± 0.08 to 0.54 ± 0.10‰ in the humid and arid soils, respectively. From synchrotron-based analysis of K atoms, we identified two major K-bearing phases co-existing as ionic K + and K-pectate association of different fractions. Based on K isotopic and synchrotron data, we conclude that two dominant processes are responsible for plant-mediated K isotopic fractionation, including (1) K redistribution during intra-plant circulation and (2) uptake at the root-soil interface. For intra-plant circulation of K, there is a high affinity of isotopically lighter K to organic complexes as K-pectate, and K-pectate is particularly enriched in roots and fresh leaves. For K uptake at root-soil interface, isotopically lighter K is preferentially taken by roots from soil bioavailable pools following a low-affinity (passive) transport path. Soil K budget in two sites reflects strong source mixing effects with limited plant imprints. This work provides exploratory data on the biogeochemical fractionation of K isotopes in the soil–plant system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Formation of tubular conduction channel in a SiGe(P)/Si core/shell nanowire heterostructure

Realizing a tubular conduction channel within a one-dimensional core–shell nanowire (NW) enables better understanding of quantum phenomena and exploration of electronic device applications. Herein, we report the growth of a SiGe(P)/Si core/shell NW heterostructure using a chemical vapor deposition coupled with vapor–liquid–solid growth mechanism. The entire NW heterostructure behaves as a p-type semiconductor, which demonstrates that the high-density carriers are confined within the 4 nm-thick Si shell and form a tubular conduction channel. These findings are confirmed by both calculations and the gate-dependent current–voltage ( I d – V g ) characteristics. Atomic resolution microscopic analyses suggest a coherent epitaxial core/shell interface where strain is released by forming dislocations along the axial direction of the NW heterostructure. Additional surface passivation achieved via growing a SiGe(P)/Si/SiGe core/multishell NW heterostructure suggests potential strategies to enhance the tubular carrier density, which could be further modified by improving multishell crystallinity and structural design.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Trapping and imaging dynamic battery nanointerfaces via electrified cryo-EM

The electrified interface between a liquid and a solid underpins diverse phenomena, from ion-transfer during battery operation to action potentials enabling biological communication. However, conventional tools are blind to the nanoscale dynamics of this metastable interface. Here, we leverage electrified cryo–electron microscopy (eCryo-EM), a technique that rapidly freezes and kinetically traps these dynamic, nonequilibrium states during battery operation for nanoscale characterization. Collective snapshots of the electrified interface at controlled time intervals quantifies early-stage growth kinetics of the solid electrolyte interphase (SEI), a passivation film that governs electron and ion transport. Unexpectedly, the diffusivity of charged species of the two SEI films with differing chemistry and performance are estimated to be within 10% of the other, indicated by the slope of their diffusion-limited SEI growth regimes. Instead, the slope of the reaction-limited SEI growth regimes differs by a factor of 3, suggesting that lowered reactivity of the high-performance electrolyte is largely responsible for its high coulombic efficiency.

Science & Technology - Other Topics↗
DOE OSTI2022

Predicting and Controlling Corrosion (Abbreviated Final Report)

Corrosion accumulates significant replacement costs in the transportation, utility, manufacturing, and infrastructure sectors. It also underpins several of LLNL’s core missions in stockpile stewardship, defense, and energy security. Whereas most corrosion and aging models are empirically parameterized to describe well-defined conditions late in the reaction, the factors that determine the early stages of corrosion—during which mitigation could be most impactful— are poorly understood. This project addressed the critical need for new approaches to predict the kinetics of corrosion initiation based on firm physical and chemical understanding. The activities encompassed degradation of relevant metals in both hydrogen-rich and environmental corrosion scenarios. The team integrated state-of-the-art multiscale simulation, in situ characterization, and data science within three technical thrusts: hydriding of Ti alloys; aqueous corrosion of Al and Ni-Cr alloys; and degradation of additively manufactured 316L stainless steel. In each case, novel capabilities were developed to identify and track the impacts of key atomistic, compositional, and microstructural features on the metal systems. For hydriding, protocols were developed to tightly integrate multiscale models, advanced multimodal characterization, and machine learning to determine how hydrogen interacts with native passivating surface oxides and nucleates new undesired phases, shedding new light on the critical role of grain boundaries, interfaces, and atomically disordered regions. For aqueous corrosion, the project demonstrated methods to predict dissolution rates of metal surfaces in corrosive solutions, to measure and understand microstructural and grain orientation effects on corrosion susceptibility, and to investigate competing growth and dissolution kinetics of surface oxides. For additively manufactured metals, analysis using state-of-the-art microscopy techniques revealed the role of specific heterogeneities invoked during laser processing, including cellular structure, dislocations, and precipitates, on corrosion susceptibility. In addition to new capabilities and understanding, the project provided an avenue for workforce development, as well as key partnerships with stakeholders in corrosion science.

08 HYDROGEN↗