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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Electrolyte Management Considerations in Modern Nickel Hydrogen and Nickel Cadmium Cell and Battery Designs

This paper reviews three general areas where the potassium ion content can impact the performance and life of nickel hydrogen and nickel cadmium cells. Sample calculations of the concentration or volume changes that can take place within operating cells are presented. With the aid of an accurate model of an operating cell or battery, the impact of changes of potassium ion content within a potential cell design can be estimated. All three of these areas are directly related to the volume tolerance and pore size engineering aspects of the components used in the cell or battery design.

Thaller, Lawrence H.↗
NASA NTRS2004

Nanoscale Bio-engineering Solutions for Space Exploration: The Nanopore Sequencer

Characterization of biological systems at the molecular level and extraction of essential information for nano-engineering design to guide the nano-fabrication of solid-state sensors and molecular identification devices is a computational challenge. The alpha hemolysin protein ion channel is used as a model system for structural analysis of nucleic acids like DNA. Applied voltage draws a DNA strand and surrounding ionic solution through the biological nanopore. The subunits in the DNA strand block ion flow by differing amounts. Atomistic scale simulations are employed using NASA supercomputers to study DNA translocation, with the aim to enhance single DNA subunit identification. Compared to protein channels, solid-state nanopores offer a better temporal control of the translocation of DNA and the possibility to easily tune its chemistry to increase the signal resolution. Potential applications for NASA missions, besides real-time genome sequencing include astronaut health, life detection and decoding of various genomes.

Stolc, Viktor↗
NASA NTRS2005

Nanoscale Bioengineering Solutions for Space Exploration the Nanopore Sequencer

Characterization of biological systems at the molecular level and extraction of essential information for nano-engineering design to guide the nano-fabrication of solid-state sensors and molecular identification devices is a computational challenge. The alpha hemolysin protein ion channel is used as a model system for structural analysis of nucleic acids like DNA. Applied voltage draws a DNA strand and surrounding ionic solution through the biological nanopore. The subunits in the DNA strand block ion flow by differing amounts. Atomistic scale simulations are employed using NASA supercomputers to study DNA translocation. with the aim to enhance single DNA subunit identification. Compared to protein channels, solid-state nanopores offer a better temporal control of the translocation of DNA and the possibility to easily tune its chemistry to increase the signal resolution. Potential applications for NASA missions, besides real-time genome sequencing include astronaut health, life detection and decoding of various genomes. http://phenomrph.arc.nasa.gov/index.php

Ioana, Cozmuta↗
NASA NTRS2015

Design and Demonstration of the Mars Organic Molecule Analyzer (MOMA) on the ExoMars 2018 Rover

The Mars Organic Molecule Analyzer (MOMA) investigation is a key astrobiology experiment scheduled to launch on the joint ESA-Roscosmos ExoMars 2018 rover mission. MOMA will examine the chemical composition of geological samples acquired from depths of up to two meters below the martian surface, where fragile organic molecules may be protected from destructive cosmic radiation and/or oxidative chemical reactions. The heart of the MOMA mass spectrometer subsystem (i.e., MOMA-MS) is a miniaturized linear ion trap (LIT) that supports two distinct modes of operation to detect: i) volatile and semi-volatile, low-to-moderate mass organics (less than or equal to 500 Da) via pyrolysis coupled with gas chromatography mass spectrometry (pyr/GCMS); and, ii) more refractory, moderate-to-high mass compounds (up to 1000 Da) via laser desorption (LDMS) at ambient Mars pressures. Additionally, the LIT mass analyzer enables selective ion trapping via multi-frequency waveform ion excitation (e.g., stored waveform inverse Fourier transform, or SWIFT), and structural characterization of complex molecules using tandem mass spectrometry (MSIMS). A high-fidelity Engineering Test Unit (ETU) of MOMAMS, including the LIT subassembly, dual-gun electron ionization source, micropirani pressure gauge, solenoid-driven aperture valve, redundant detection chains, and control electronics, has been built and tested at NASA GSFC under relevant operational conditions (pressure, temperature, etc.). Spaceflight qualifications of individual hardware components and integrated subassemblies have been validated through vibration, shock, thermal, lifetime, and performance evaluations. The ETU serves as a pathfinder for the flight model buildup, integration and test, as the ETU meets the form, fit and function of the flight unit that will be delivered to MPS in late 2015. To date, the ETU of MOMA-MS has been shown to meet or exceed all functional requirements, including mass range, resolution, accuracy, instrumental drift, and Iimit-of-detection specifications, thereby enabling the primary science objectives of the MOMA investigation and ExoMars 2018 mission.

Mars Organic Molecule Analyzer↗
NASA NTRSDate not supplied

Genesis Solar Wind Sample Curation Documentation

Introduction: A scientist with experience as a sample science analyst, provider of flight hardware for multiple missions, and senior engineer in an ISO 2000-rated manufacturing plant has described the timeline of key participants in any PI-led sample return mission, the breadth of the organizations involved [1,2], and, of interest to this meeting, choosing the types of data to preserve and issues of future data accessibility. This work broadens that perspective by giving similar lessons from Genesis sample curation point-of-view. Curation participation regarding data gathering was part of the mission review process from the beginning. Genesis’ story illustrates outcome of several choices about types of data to record and preserve. Precision analysis of solar wind atoms captured in pure, ultraclean substrates is the driving science goal; therefore, detailed documentation was captured from all mission and curation phases and from investigator laboratories because these processes affect the final analytical results [3]. Pre-flight: Design and fabrication of the spacecraft. Like many modern small sample return missions, Genesis was a tightly managed team integrated across science, engineering and curation. Communication across the team was excellent, and, for the most part, the hands-on engineering technicians understood the impacts of “small choices” they routinely make, and the eyes-on oversight of manufacturing processes by scientists was mindful of details. The payload was designed by the Jet Propulsion Laboratory and the spacecraft by Lockheed Martin. Solar wind collectors and instruments were fabricated by multiple vendors and laboratories. The main portion of the payload was assembled at JSC. Fabrication procedures and contamination-control data (with witness coupons) were stored primarily at JSC. The original composition, dimensions and configuration of components, results of thermal testing, etc. are still needed for interpretation of analytical data. At times, these must be estimated from secondary information acquired pre-flight. Moreover, some files (e.g., original 3-D models and early Powerpoint) cannot be opened using software. Archived curation data includes 2-D drawings, material usage lists, QA documentation and analyses of consumables used during fabrication. Important chemical information still resides in archived hardware, paints and lubricants, material coupons, cleaning coupons, environmental witness plates and reference materials from manufacturing facilities. Purity and cleanliness of collector substrates. Semi-conductor vendors provided surface cleanliness data and some purity data. Purity for specific elements of interest was verified by science team members in their laboratories [4]. Curation archived procurement and shipping records, analysis reports, and non-proprietary fabrication data. A physical archive of flight collector reference materials is maintained for future use so additional data can be collected as analytical techniques improve. These are of increased value due to the hard landing upon re-entry. Cleaning and cleanliness assessments of flight hardware. Cleaning of the science canister payload was performed at JSC in a dedicated ISO 4 cleanroom using ultrapure water (UPW). The cleanliness of this UPW was monitored throughout processing. The archive for the clean lab also includes airborne particle counts, airborne molecular and inorganic contamination measurements as well as cleanroom construction material coupons and witness coupons. Hardware cleanliness was assessed by particle counts in rinse water batches. This information is recorded in batch cleaning forms and logbooks, and are, perhaps, of decreased value due to the hard landing. Post-flight: Curation-generated data. The curation handling history of each Genesis sample is documented in a typical astromaterials sample database which captures sample location, physical description and characterization data. Samples have a “shelf life”. Crucial to the preservation of samples is ongoing documentation of the sample environment, initially under curatorial control but is now a separate facility function with requires coordination. PI-generated data. Data on sample characterization and cleaning techniques continues to be generated by sample users [5]. These are often captured in LPSC abstracts, but these “engineering” results often are not publishable as stand-alone papers. We are actively looking for ways to make this information more accessible to users. Ion implants into samples have aided science return and can be shared among investigators. These (and similar) materials should be added to the curatorial collection with appropriate process and characterization data generated externally. Summary: Complete data archives for returned astromaterial samples must be broad in types and formats, and inclusive of environmental monitoring.

Genesis↗
DOE OSTI2012

Advanced process control and novel test methods for PVD silicon and elastomeric silicone coatings utilized on ion implant disks, heatsinks and selected platens

Coatings play multiple key roles in the proper functioning of mature and current ion implanters. Batch and serial implanters require strategic control of elemental and particulate contamination which often includes scrutiny of the silicon surface coatings encountering direct beam contact. Elastomeric Silicone Coatings must accommodate wafer loading and unloading as well as direct backside contact during implant plus must maintain rigid elemental and particulate specifications. The semiconductor industry has had a significant and continuous effort to obtain ultra-pure silicon coatings with sustained process performance and long life. Low particles and reduced elemental levels for silicon coatings are a major requirement for process engineers, OEM manufacturers, and second source suppliers. Relevant data will be presented. Some emphasis and detail will be placed on the structure and characteristics of a relatively new PVD Silicon Coating process that is very dense and homogeneous. Wear rate under typical ion beam test conditions will be discussed. The PVD Silicon Coating that will be presented here is used on disk shields, wafer handling fingers/fences, exclusion zones of heat sinks, beam dumps and other beamline components. Older, legacy implanters can now provide extended process capability using this new generation PVD silicon - even on implanter systems that were shipped long before the advent of silicon coating for contamination control. Low particles and reduced elemental levels are critical performance criteria for the silicone elastomers used on disk heatsinks and serial implanter platens. Novel evaluation techniques and custom engineered tools are used to investigate the surface interaction characteristics of multiple Elastomeric Silicone Coatings currently in use by the industry - specifically, friction and perpendicular stiction. These parameters are presented as methods to investigate the critical wafer load and unload function. Unique tools and test methods have been developed that deliver accurate and repeatable data, which will be described.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Vacancy Mediated Electrooxidation of 5‐Hydroxymethyl Furfuryl Using Defect Engineered Layered Double Hydroxide Electrocatalysts

Abstract Electrochemical biomass oxidation coupled with hydrogen evolution offers a promising route to generate value‐added chemicals and clean energy. The complex adsorption behavior of 5‐hydroxymethyl furfural (HMF) and hydroxyl ions (OH − ) on the electrocatalyst surface during HMF electrooxidation reaction (HMFOR) necessitates an in‐depth understanding of active sites available for adsorption. Herein, oxygen vacancy (V O ) defects are introduced in NiFe layered double hydroxide (LDH) using Ce dopants to manipulate electronic structure. Synchrotron‐based HE‐XRD and XAS indicate negligible V O in La‐doped NiFe while Ce doping leads to V O defects due to flexible Ce redox (Ce 3+ ↔ Ce 4+ ). The V O ‐rich Ce‐NiFe exhibits higher Faradic efficiency of ≈90% to produce 2,5‐furan dicarboxylic acid (FDCA), far greater than ≈60% for NiFe V O in Ce‐NiFe act as alternative active sites for OH − adsorption, hence reducing adsorption competition for the same metal sites. DFT calculation results corroborate experimental findings by showcasing that the presence of V O in Ce‐NiFe manipulates the adsorption energies and facilitates the chemical adsorption OH − in V O to improve HMFOR. In situ HE‐XRD derived pair distribution function coupled to RMC simulations confirm OH − trapping in V O and HMF adsorption on metal centers as evident by interlayer distance evolution. Taken together, this work showcases routes for dual‐site electrocatalyst design for improved biomass electrooxidation.

Chemistry↗
DOE OSTI2010

Crystal Structures of Apo and Metal-Bound Forms of the UreE Protein from Helicobacter pylori: Role of Multiple Metal Binding Sites

The crystal structure of the urease maturation protein UreE from Helicobacter pylori has been determined in its apo form at 2.1 {angstrom} resolution, bound to Cu{sup 2+} at 2.7 {angstrom} resolution, and bound to Ni{sup 2+} at 3.1 {angstrom} resolution. Apo UreE forms dimers, while the metal-bound enzymes are arranged as tetramers that consist of a dimer of dimers associated around the metal ion through coordination by His102 residues from each subunit of the tetramer. Comparison of independent subunits from different crystal forms indicates changes in the relative arrangement of the N- and C-terminal domains in response to metal binding. The improved ability of engineered versions of UreE containing hexahistidine sequences at either the N-terminal or C-terminal end to provide Ni{sup 2+} for the final metal sink (urease) is eliminated in the H102A version. Therefore, the ability of the improved Ni{sup 2+}-binding versions to deliver more nickel is likely an effect of an increased local concentration of metal ions that can rapidly replenish transferred ions bound to His102.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Reversible Polymer–Metal Mechanical Transitions Enabled by Electrochemical Modulation

The mechanical properties of materials, e.g., elastic modulus and hardness, are important for many engineering applications. Here, we introduce a hierarchically ordered structure (HOS) polymer system that exhibits exceptionally large, reversible changes in mechanical behavior upon electrochemical lithiation and delithiation. Full lithiation of the HOS polymer induces a substantial mechanical transition from polymer-like to metal-like attributes, yielding a 10-fold increase in elastic modulus and a 3-fold increase in hardness, with values comparable to those of aluminum. Upon removal of Li+ ions, the elastic modulus and hardness return to nearly pristine polymer levels, and this transformation remains highly repeatable over many electrochemical cycles. Reversible transitions between polymer-like and metal-like mechanical behaviors offer a new pathway for engineering materials for applications that require tunable mechanical properties, such as soft robotics and stimuli-responsive systems.

Thapa, Santosh↗
DOE OSTI2019

Extreme Fast Charging of Lithium-Ion Battery: Understanding Bottlenecks and Safety Issues

Currently, graphite-based lithium-ion battery (LIB) packs in the electric vehicle (EV) domain can accommodate a charging rate up to 2C, which translates into a 0.5 to 1h recharge time [1-2]. Reducing the recharge time down to 10-15 min range would reduce the gap between the internal combustion engine’s refueling time and EV’s recharge time. Minimizing this gap is seen as attractive to consumers and would eventually enhance the adoption of EVs [1-3]. Significant research activity has been going on globally to understand the scientific limitations associated with high rate charging [4-6]. Extreme fast charging (XFC) of Li-ion batteries can create LIB life and safety issues [1, 7]. Among the issues are shortened battery life and enhanced safety concerns due to potential short creation by Li dendrites [1-2]. The detection and monitoring of Li plating onset and evolution over aging is a significant challenge. In-operando detection schemes to understand the dynamics of Li plating and the role that aging has on Li plating are vital to enable fast charging of specific energy cells. A key to the effort would be understanding the interplay between materials, electrode structure, and use conditions. This presentation will discuss the key bottlenecks of aggressive fast charging (~10 min). In particular, how extreme fast charging impacts individual battery components as well as the overall battery’s performance, life, and safety will be presented in light of experimental results and analysis. The effectiveness and challenges of in-operando electrochemical detection methods in aggressive charging conditions shall also be discussed. References [1] S. Ahmed, I. Bloom, A. N. Jansen, T. R. Tanim, E. J. Dufek, A. Pesaran, A. Burnham, R. B. Carlson, F. Dias, K. Hardy,M. Keyser, C. Kreuzer, A. Markel, A. Meintz, C. Michelbacher, M. Mohanpurkar, P. A. Nelson, D. C. Robertson, D. Scoffield,M. Shirk, T. Stephens, R. Vijayagopal, J. Zhang, Enabling fast charging–A battery technology gap assessment, J Power Sources,367 (2017), 250-262 [2] T.R. Tanim, M. G. Shirk, R. L. Bewley, E. J. Dufek, B. Y. Liaw, Fast charge implications: Pack and cell analysis and comparison,, J Power Sources, 381 (2018) 56-65 [3] N. Lutsey, S. Searle, S. Chambliss, and A. Bandivadekar, Assessment of leading electric vehicle promotion activities inUnited States cities, International Council on Clean Transportation, July 2015 [4] C. Michelbacher, S. Ahmed, I. Bloom, A. Burnham, B. Carlson, F. Dias, E. J. Dufek, A. N Jansen, M. Keyser, A. Markel,A. Meintz, M. Mohanpurkar, A. Pesaran, D. Scoffield, M. Shirk, T. Stephens, T. R. Tanim, R. Vijayagopal, J. Zhang, Enablingfast charging–Introduction and overview, J Power Sources, [5] E-Mobility: New Possibilities with 800-volt charging, Porsche newsroom, https://newsroom.porsche.com/en/technology/porsche-engineering-e-power-electromobility-800-volt-charging-12720.html(accessed Sep 2017) [6] Charging interface initiative e.V. - Industry statement on future charging infrastructure, available at: http://www.charinev.org/fileadmin/Downloads/Papers_and_Regulations/CharIN_industry_statement.pdf(accessed June 2017) [7] T. Waldmann, B. Hogg,M. Kasper, S. Grolleau, C. Couceiro, K. Trad, B. P. Matadi and M. Wohlfahrt-Mehrens, Interplay ofOperational Parameters on Lithium Deposition in Lithium-Ion Cells: Systematic Measurements with Reconstructed 3-ElectrodePouch Full Cells, J. Electrochem. Soc. 163 (7) (2016) A1232-A1238

25 ENERGY STORAGE↗
DOE OSTI2020

Towards single-species selectivity of membranes with subnanometre pores

Synthetic membranes with pores at the subnanometre scale are at the core of processes for separating solutes from water, such as water purification and desalination. While these membrane processes have achieved substantial industrial success, the capability of state-of-the-art membranes to selectively separate a single solute from a mixture of solutes is limited. Such high-precision separation would enable fit-for-purpose treatment, improving the sustainability of current water-treatment processes and opening doors for new applications of membrane technologies. In this paper, we introduce the challenges of state-of-the-art membranes with subnanometre pores to achieve high selectivity between solutes. Here, we then analyse experimental and theoretical literature to discuss the molecular-level mechanisms that contribute to energy barriers for solute transport through subnanometre pores. We conclude by providing principles and guidelines for designing next-generation single-species selective membranes that are inspired by ion-selective biological channels.

42 ENGINEERING↗
DOE OSTI2020

Methods and systems for integrating ion manipulation devices

A switch for coupling a first ion manipulation device to a second ion manipulation device comprises a first surface and a second surface, at least one first electrode coupled to each of the first and second surface and configured to receive a first voltage and generate a first potential, and at least one second electrode coupled to each of the first and second surface and configured to receive a second voltage and generate a second potential, wherein the first potential inhibits the motion of ions along a first direction and the second potential inhibits the motion of ions along a second direction different from the first direction.

42 ENGINEERING↗
DOE OSTI2025

Simulation study of high-current 7 Li 3+ beam acceleration with laser ion source and RFQ linac using direct plasma injection

Accelerator-based neutron sources (ABNS) utilizing the 7 Li(p,n) 7 Be reaction in inverse kinematics offer strong forward-directed neutron emission, making them attractive for compact and clean neutron source with low background neutrons and unwanted radiation. However, practical use of such systems requires lithium ion beam currents that exceed the capability of conventional ion accelerators by two orders of magnitude. In this study, we numerically designed and evaluated a high-current acceleration system based on a direct plasma injection scheme (DPIS), combining a laser ion source (LIS) and a radio-frequency quadrupole (RFQ) linac. The ion extraction optics and RFQ entrance were optimized using IGUN, OPERA, and GPT, demonstrating that over 1.2 A-class beam current can be injected into the RFQ. The RFQ structure was designed under realistic engineering constraints including surface field strength (Kilpatrick factor) and RF power. GPT simulations showed that a 370 mA 7 Li 3+ beam can be successfully accelerated within a ±10 % energy spread. To validate downstream compatibility, we also designed a simplified medium-energy beam transport (MEBT) section and an interdigital H-type (IH) linac, confirming successful acceleration of a 320 mA beam to the total energy of 14 MeV. These results support the feasibility of the DPIS and RFQ approach as a promising solution for compact neutron sources and other high-intensity ion beam applications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Leveraging a Neural Network-Enhanced Reproducing Kernel Particle Method for Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and resulting in reduced performance and service life. A coupled electro-chemo-mechanical reproducing kernel particle method (RKPM) formulation has been developed to analyze this system. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based model construction by RKPM is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. Here, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1, 2] is introduced to effectively model damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RKPM is additionally used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022. [2] Baek, J., Chen, J. S., "A Neural Network-Based Enrichment of Reproducing Kernel Approximation for Modeling Brittle Fracture", Computer Methods in Applied Mechanics and Engineering Vol. 410, 116590, 2024.

degradation↗
DOE OSTI2014

Advanced Models and Controls for Prediction and Extension of Battery Lifetime (Presentation)

Predictive models of capacity and power fade must consider a multiplicity of degradation modes experienced by Li-ion batteries in the automotive environment. Lacking accurate models and tests, lifetime uncertainty must presently be absorbed by overdesign and excess warranty costs. To reduce these costs and extend life, degradation models are under development that predict lifetime more accurately and with less test data. The lifetime models provide engineering feedback for cell, pack and system designs and are being incorporated into real-time control strategies.

25 ENERGY STORAGE↗