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DOE OSTI2023

Exploring and Embracing Heterogeneity in Atomically Thin Energy Materials

Atomically thin semiconductors offer extraordinary opportunities for the manipulation of charge carriers, many-body optical excitations, quantum light emitters, and non-charge based quantum numbers. Confinement and reduced dielectric screening in these two-dimensional (2D) materials give rise to large characteristic energies so that many-body and quantum effects are important even at room temperature. Optical excitations in extended homogeneous areas have been investigated intensely, albeit mostly focusing on a limited set of materials, particularly transition metal dichalcogenides. Much less understood are light-matter interactions for other classes of 2D semiconductors, as well as effects that arise in heterogeneous materials, either near naturally occurring defects, impurities, edges and grain boundaries, or as a result of intentional interface formation in heterostructures. Addressing such systems experimentally involves significant challenges: Understanding the atomistic growth mechanisms of 2D semiconductors, so that novel systems with designed properties, specific ‘imperfections’, or controlled interfaces can be realized; and probing of local excitations at scales that match the relevant (micrometer to nanometer) length scales in heterogeneous materials. In this research project, we addressed these challenges by harnessing quantitative in-situ microscopy to study the growth of 2D and layered semiconductors and heterostructures, combined with local spectroscopic measurements of quasiparticles excited at the nanometer scale. An integral part of the research has been the development of novel experimental approaches, both for in-situ microscopy of synthesis and for nanometer-scale spectroscopy. In particular, advanced techniques were developed for cathodoluminescence in scanning transmission electron microscopy (STEM-CL) where a nanometer-focused electron beam is used to locally excite electron-hole pairs, excitons, as well as propagating hybrid light-matter modes such as exciton-polaritons. Experiments were guided and analyzed via computations of structure, chemistry, and excitation spectra. The particular materials focus has been on group IV chalcogenides, a family of less explored 2D/layered semiconductors whose diversity in crystal structure and properties promises access to novel materials architectures and the discovery of phenomena that can support emerging technology needs.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Taguchi Approach to Design Optimization for Quality and Cost: An Overview

Calibrations to existing cost of doing business in space indicate that to establish human presence on the Moon and Mars with the Space Exploration Initiative (SEI) will require resources, felt by many, to be more than the national budget can afford. In order for SEI to succeed, we must actually design and build space systems at lower cost this time, even with tremendous increases in quality and performance requirements, such as extremely high reliability. This implies that both government and industry must change the way they do business. Therefore, new philosophy and technology must be employed to design and produce reliable, high quality space systems at low cost. In recognizing the need to reduce cost and improve quality and productivity, Department of Defense (DoD) and National Aeronautics and Space Administration (NASA) have initiated Total Quality Management (TQM). TQM is a revolutionary management strategy in quality assurance and cost reduction. TQM requires complete management commitment, employee involvement, and use of statistical tools. The quality engineering methods of Dr. Taguchi, employing design of experiments (DOE), is one of the most important statistical tools of TQM for designing high quality systems at reduced cost. Taguchi methods provide an efficient and systematic way to optimize designs for performance, quality, and cost. Taguchi methods have been used successfully in Japan and the United States in designing reliable, high quality products at low cost in such areas as automobiles and consumer electronics. However, these methods are just beginning to see application in the aerospace industry. The purpose of this paper is to present an overview of the Taguchi methods for improving quality and reducing cost, describe the current state of applications and its role in identifying cost sensitive design parameters.

Unal, Resit↗

DOE OSTI2025

Many-body interference in kagome crystals

When electrons in metals act collectively, they enable emergent phenomena and electronic functionalities that transcend the behaviour of individual particles. Coherent collective charge motion has so far been observed primarily in superconductors, in which it arises with the formation of Cooper pairs. Here we report experimental evidence for coherent charge transport in the normal state of the kagome metal CsV 3 Sb 5 , indicative of a distinct collective electronic state. The signature is a set of magnetoresistance oscillations in mesoscopic crystalline pillars under in-plane magnetic fields, with a periodicity determined by the number of magnetic flux quanta h/e threading between adjacent kagome layers—effectively forming an interlayer Aharonov–Bohm interferometer. The cooperative nature of this phenomenon is evidenced by a non-analytic angular dependence characterized by abrupt transitions between discrete oscillation frequencies and its persistence over length scales that exceed the single-particle mean free path. Notably, the oscillation amplitude matches other anomalous electronic responses reported in CsV 3 Sb 5 , pointing to an underlying mechanism that establishes intrinsic coherence. These findings shed new light on the debated nature of correlated order in kagome metals and establish CsV 3 Sb 5 as a platform for realizing long-range coherent charge transport in the absence of superconductivity—opening new directions for coherence in correlated electron systems beyond conventional models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Symmetry progression and band vs Mott character of CdPS 3 under pressure

Complex chalcogenides are renowned for their tunable electronic, magnetic, and optical properties under external stimuli. The MPX 3 family (M = Mn, Ni, Co, V; X = S, Se) is a platform for many exciting discoveries—especially under compression—although CdPS3 is thought to be different because the Cd center possesses a filled 4d shell, which precludes Mottness. Here, we combine synchrotron-based infrared absorbance and Raman scattering spectroscopies with diamond anvil cell techniques, complementary lattice dynamics calculations, and an analysis of the energy landscape to reveal a series of structural phase transitions in CdPS 3 . We find four distinct pressure-driven transitions, with low frequency modes detectable over the full 35 GPa range of our investigation. A group–subgroup analysis along with our first-principles calculations allows us to partially unravel the space group sequence. For instance, the first critical pressure is a monoclinic C2/m to trigonal $\overline{R}$3 transition at 10 GPa. Despite the softness and overall sensitivity to pressure, we do not locate an insulator-to-metal transition in this pressure range, indicating that the energy scale for gap closure is significantly higher than expected. We discuss these findings in terms of force-induced color change and Mott vs band character in this system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRSDate not supplied

Crew Health and Performance Integrated Data System Platform Project Updates

Future human exploration missions introduce a new paradigm as crews move further from the resupply and near real-time ground support typical of Low Earth Orbit missions today. Without immediate support from ground-based personnel, exploration crews will be more reliant on inflight data and technology to respond to emergencies and anomalies. Today, in-flight data is often siloed, unsynchronized, and largely inaccessible in real time. Many data sets require manual entry and/or data transfer between vehicles and the ground. These issues contribute to risks in supporting crew autonomy for future exploration missions. An integrated data system platform is needed to mitigate these risks by supporting a new generation of technologies and employing advanced analytical and predictive modeling techniques to enable crew autonomy for future exploration missions. The Crew Health and Performance Integrated Data System Platform (CHP-IDSP) project is laying a foundation for future in-flight informatics by providing a back-end architecture for collecting, storing, and integrating multiple sources of data generated by and around the crew. This cohesive integration point will streamline the management of CHP data (e.g., environmental, exercise, medical, sleep, performance, etc.) and facilitate situation awareness and decision support required by the crew and remote support of exploration missions. This presentation will describe the ongoing development effort of the path-to-flight CHP-IDSP software and the demonstration of its core capabilities. This includes a brief history of the project, the human-centered process used to identify data needs and workflows feeding the development of scenarios and requirements, and current subsystem development status. Current integrations, including the Chiron exploration electronic health record application, will be discussed. Future work includes collaboration with additional CHP domains and a flight technology demonstration.

Data integration↗

DOE OSTI2020

Excited-state electronic structure of molecules using many-body Green’s functions: Quasiparticles and electron–hole excitations with VOTCA-XTP

Here, we present the open-source VOTCA-XTP software for the calculation of the excited-state electronic structure of molecules using many-body Green’s function theory in the GW approximation with the Bethe–Salpeter equation (BSE). This work provides a summary of the underlying theory and discusses the details of its implementation based on Gaussian orbitals, including resolution-of-identity techniques and different approaches to the frequency integration of the self-energy or acceleration by offloading compute-intensive matrix operations using graphics processing units in a hybrid OpenMP/Cuda scheme. A distinctive feature of VOTCA–XTP is the capability to couple the calculation of electronic excitations to a classical polarizable environment on an atomistic level in a coupled quantum- and molecular-mechanics (QM/MM) scheme, where a complex morphology can be imported from Molecular Dynamics simulations. The capabilities and limitations of the GW–BSE implementation are illustrated with two examples. First, we study the dependence of optically active electron–hole excitations in a series of diketopyrrolopyrrole-based oligomers on molecular-architecture modifications and the number of repeat units. Second, we use the GW–BSE/MM setup to investigate the effect of polarization on localized and intermolecular charge-transfer excited states in morphologies of low-donor content rubrene–fullerene mixtures. These showcases demonstrate that our implementation currently allows us to treat systems with up to 2500 basis functions on regular shared-memory workstations, providing accurate descriptions of quasiparticle and coupled electron–hole excited states of various characters on an equal footing.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1988

Moisture interaction and stability of ZOT (Zinc Orthotitanate) thermal control spacecraft coating

Two of the many performance requirements of the zinc orthotitanate (ZOT) ceramic thermal control paint covering parts of the Jupiter-bound Galileo spacecraft are that it be sufficiently electrically conductive so as to prevent electrostatic discharge (ESD) damage to onboard electronics and that it adhere to and protect the substrate from corrosion in terrestrial environments. The bulk electrical resistivity of ZOT on an aluminum substrate was measured over the ranges 22 C to 90 C and 0 percent RH to 100 percent RH, and also in soft (10 (minus 2) Torr) and hard (10 (minus 7) Torr) vacuums. No significant temperature dependence was evident, but measured resistivity values ranged over 9 orders of magnitude: 10 to the 5th power ohm-cm at 100 percent RH greater than 10 to the 12th power ohm-cm in a hard vacuum. The latter value violates the ESD criterion for a typical 0.019 cm thick coating. The corrosion study involved exposing typical ZOT substrate combinations to two moisture environments - 30 C/85 percent RH and 85 C/85 percent RH - for 2000 hours, during which time the samples were periodically removed for front-to-back electrical resistance and scratch/peel test measurements. It was determined that the ZOT/Al and ZOT/Mg systems are stable (no ZOT delamination), although some corrosion (oxide formation) and resistivity increases observed among the ZOT/Mg samples warrant that exposure of some parts to humid environments be minimized.

Mon, Gordon R.↗

NASA NTRSDate not supplied

Crew Health and Performance Integrated Data Service Platform (CHP-IDSP): Project Updates

Future human exploration missions introduce a new paradigm as crews move further from the resupply and near real-time ground support typical of Low Earth Orbit missions today. Without immediate support from ground-based personnel, exploration crews will be more reliant on inflight data and technology to respond to emergencies and anomalies. Today, in-flight data is often siloed, unsynchronized, and largely inaccessible in real time. Many data sets require manual entry and/or data transfer between vehicles and the ground. These issues contribute to risks in supporting crew autonomy for future exploration missions. An integrated data services platform is needed to mitigate these risks by supporting a new generation of technologies and employing advanced analytical and predictive modeling techniques to enable crew autonomy for future exploration missions. The Crew Health and Performance Integrated Data System Platform (CHP-IDSP) project is laying a foundation for future in-flight informatics by providing a back-end architecture for collecting, storing, and integrating multiple sources of data generated by and around the crew. This cohesive integration point will streamline the management of CHP data (e.g., environmental, exercise, medical, sleep, performance, etc.) and facilitate situation awareness and decision support required by the crew and remote support of exploration missions. This presentation will describe the ongoing development effort of the path-to-flight CHP-IDSP software and the demonstration of its core capabilities. This includes a brief history of the project, the human-centered process used to identify data needs and workflows feeding the development of scenarios and requirements, and current subsystem development status. Current integrations, including the Chiron exploration electronic health record application, will be discussed. Future work includes collaboration with additional CHP domains and a flight technology demonstration.

Software↗

NASA NTRS2008

Electronic Escape Trails for Firefighters

A proposed wireless-communication and data-processing system would exploit recent advances in radio-frequency identification devices (RFIDs) and software to establish information lifelines between firefighters in a burning building and a fire chief at a control station near but outside the building. The system would enable identification of trails that firefighters and others could follow to escape from the building, including identification of new trails should previously established trails become blocked. The system would include a transceiver unit and a computer at the control station, portable transceiver units carried by the firefighters in the building, and RFID tags that the firefighters would place at multiple locations as they move into and through the building (see figure). Each RFID tag, having a size of the order of a few centimeters, would include at least standard RFID circuitry and possibly sensors for measuring such other relevant environmental parameters as temperature, levels of light and sound, concentration of oxygen, concentrations of hazardous chemicals in smoke, and/or levels of nuclear radiation. The RFID tags would be activated and interrogated by the firefighters and control-station transceivers. Preferably, RFID tags would be configured to communicate with each other and with the firefighters units and the control station in an ordered sequence, with built-in redundancy. In a typical scenario, as firefighters moved through a building, they would scatter many RFID tags into smoke-obscured areas by use of a compressed-air gun. Alternatively or in addition, they would mark escape trails by dropping RFID tags at such points of interest as mantraps, hot spots, and trail waypoints. The RFID tags could be of different types, operating at different frequencies to identify their functions, and possibly responding by emitting audible beeps when activated by signals transmitted by transceiver units carried by nearby firefighters.

Jorgensen, Charles↗

DOE OSTI2020

Helimagnetic Structure and Heavy-Fermion-Like Behavior in the Vicinity of the Quantum Critical Point in Mn 3 P

Antiferromagnet Mn 3 P with Neel temperature T N =30 K is composed of Mn tetrahedrons and zigzag chains formed by three inequivalent Mn sites. Due to the nearly frustrated lattice with many short Mn-Mn bonds, competition of the exchange interactions is expected. We here investigate the magnetic structure and physical properties including pressure effect in single crystals of this material, and reveal a complex yet well-ordered helimagnetic structure. The itinerant character of this materials is strong, and the ordered state with small magnetic moments is easily suppressed under pressure, exhibiting a quantum critical point at ~1.6 GPa. The remarkable mass renormalization, even in the ordered state, and an incoherent-coherent crossover in the low-temperature region, characterize an unusual electronic state in Mn 3 P, which is most likely effected by the underlying frustration effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2009

NASA Tech Briefs, May 2009

Topics covered include: Valve-"Health"-Monitoring System; Microstrip Antenna for Remote Sensing of Soil Moisture and Sea Surface Salinity; Biomedical Wireless Ambulatory Crew Monitor; Wireless Avionics Packet to Support Fault Tolerance for Flight Applications; Aerobot Autonomy Architecture; Submillimeter Confocal Imaging Active Module; Traveling-Wave Maser for 32 GHz; System Synchronizes Recordings from Separated Video Cameras; Piecewise-Planar Parabolic Reflectarray Antenna; Reducing Interference in ATC Voice Communication; EOS MLS Level 1B Data Processing, Version 2.2; Auto-Generated Semantic Processing Services; Geospatial Authentication; Maneuver Automation Software; Event Driven Messaging with Role-Based Subscriptions; Estimating Relative Positions of Outer-Space Structures; Fabricating PFPE Membranes for Capillary Electrophoresis; Linear Actuator Has Long Stroke and High Resolution; Installing a Test Tap on a Metal Battery Case; Fabricating PFPE Membranes for Microfluidic Valves and Pumps; Room-Temperature-Cured Copolymers for Lithium Battery Gel Electrolytes; Catalysts for Efficient Production of Carbon Nanotubes; Amorphous Silk Fibroin Membranes for Separation of CO2; "Zero-Mass" Noninvasive Pressure Transducers; Radial-Electric-Field Piezoelectric Diaphragm Pumps; Ejector-Enhanced, Pulsed, Pressure-Gain Combustor; Suppressing Ghost Diffraction in E-Beam-Written Gratings; Target-Tracking Camera for a Metrology System; Polarimetric Imaging using Two Photoelastic Modulators; Miniature Wide-Angle Lens for Small-Pixel Electronic Camera; Modal Filters for Infrared Interferometry; Mo(3)Sb(7-x)Te(x) for Thermoelectric Power Generation; Two-Dimensional Quantum Model of a Nanotransistor; Scanning Miniature Microscopes without Lenses; Manipulating Neutral Atoms in Chip-Based Magnetic Traps; Expansion Compression Contacts for Thermoelectric Legs; Processing Electromyographic Signals to Recognize Words; Physical Principle for Generation of Randomness; DSN Beowulf Cluster-Based VLBI Correlator; Hybrid NN/SVM Computational System for Optimizing Designs; Criteria for Modeling in LES of Multicomponent Fuel Flow; Computerized Machine for Cutting Space Shuttle Thermal Tiles; Orbiting Depot and Reusable Lander for Lunar Transportation; FPGA-Based Networked Phasemeter for a Heterodyne Interferometer; Aquarius Digital Processing Unit; Three-Dimensional Optical Coherence Tomography; Benchtop Antigen Detection Technique using Nanofiltration and Fluorescent Dyes; Isolation of Precursor Cells from Waste Solid Fat Tissue; Identification of Bacteria and Determination of Biological Indicators; Further Development of Scaffolds for Regeneration of Nerves; Chemically Assisted Photocatalytic Oxidation System; Use of Atomic Oxygen for Increased Water Contact Angles of Various Polymers for Biomedical Applications; Crashworthy Seats Would Afford Superior Protection; Open-Access, Low-Magnetic-Field MRI System for Lung Research; Microfluidic Mixing Technology for a Universal Health Sensor; Microfluidic Extraction of Biomarkers using Water as Solvent; Microwell Arrays for Studying Many Individual Cells; Droplet-Based Production of Liposomes; and Identifying and Inactivating Bacterial Spores

Source record↗

NASA NTRS1998

Rare Potassium-Bearing Mica in Allan Hills 84001: Additional Constraints on Carbonate Formation

There have been presented several intriguing observations suggesting evidence of fossil life in martian orthopyroxenite ALH 84001. These exciting and controversial observations have stimulated extensive debate over the origin and history of ALH 84001, but many issues still remain unresolved. Among the most important is the question of the temperature at which the carbonates, which host the putative microfossils, formed. Oxygen- isotopic data, while showing that the carbonates are generally out of isotopic equilibria with the host rock, cannot constrain their temperature of formation. Both low- and high-temperature scenarios are plausible depending on whether carbonate growth occurred in an open or closed system. Petrographic arguments have generally been used to support a high-temperature origin but these appear to be suspect because they assume equilibrium between carbonate compositions that are not in contact. Some observations appear to be consistent with shock mobilization and growth from immiscible silicate-carbonate melts at high temperatures. Proponents of a low-temperature origin for the carbonates are hampered by the fact that there is currently no evidence of hydrous phases that would indicate low temperatures and the presence of a hydrous fluid during the formation of the carbonates. However, the absence of hydrous phases does not rule out carbonate formation at low temperatures, because the carbonate forming fluids may have been extremely CO2 rich, such that hydrous phases would not have been stabilized. In this study, I have carried out additional Transmission electron microscopy (TEM) studies of ALH-84001 and have found evidence of very rare phyllosilicates, which appear to be convincingly of pre-terrestrial origin. At present these observations are limited to one occurrence: further studies are in progress to determine if the phyllosilicates are more widespread.

Brearley, A. J.↗

DOE OSTI2022

Recoil imaging for dark matter, neutrinos, and physics beyond the Standard Model

Recoil imaging entails the detection of spatially resolved ionization tracks generated by particle interactions. This is a highly sought-after capability in many classes of detector, with broad applications across particle and astroparticle physics. However, at low energies, where ionization signatures are small in size, recoil imaging only seems to be a practical goal for micro-pattern gas detectors. This white paper outlines the physics case for recoil imaging, and puts forward a decadal plan to advance towards the directional detection of low-energy recoils with sensitivity and resolution close to fundamental performance limits. The science case covered includes: the discovery of dark matter into the neutrino fog, directional detection of sub-MeV solar neutrinos, the precision study of coherent-elastic neutrino-nucleus scattering, the detection of solar axions, the measurement of the Migdal effect, X-ray polarimetry, and several other applied physics goals. We also outline the R&D programs necessary to test concepts that are crucial to advance detector performance towards their fundamental limit: single primary electron sensitivity with full 3D spatial resolution at the $\sim$100 micron-scale. These advancements include: the use of negative ion drift, electron counting with high-definition electronic readout, time projection chambers with optical readout, and the possibility for nuclear recoil tracking in high-density gases such as argon. We also discuss the readout and electronics systems needed to scale-up such detectors to the ton-scale and beyond.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Origin of giant electric-field-induced strain in faulted alkali niobate films

A large electromechanical response in ferroelectrics is highly desirable for developing high-performance sensors and actuators. Enhanced electromechanical coupling in ferroelectrics is usually obtained at morphotropic phase boundaries requiring stoichiometric control of complex compositions. Recently it was shown that giant piezoelectricity can be obtained in films with nanopillar structures. Here, we elucidate its origin in terms of atomic structure and demonstrate a different system with a greatly enhanced response. This is in non-stoichiometric potassium sodium niobate epitaxial thin films with a high density of self-assembled planar faults. A giant piezoelectric coefficient of ~1900 picometer per volt is demonstrated at 1 kHz, which is almost double the highest ever reported effective piezoelectric response in any existing thin films. The large oxygen octahedral distortions and the coupling between the structural distortion and polarization orientation mediated by charge redistribution at the planar faults enable the giant electric-field-induced strain. Our findings demonstrate an important mechanism for realizing the unprecedentedly giant electromechanical coupling and can be extended to many other material functions by engineering lattice faults in non-stoichiometric compositions.

36 MATERIALS SCIENCE↗

NASA NTRS2010

Low Mass Printable Devices for Energy Capture, Storage, and Use for Space Exploration Missions

The energy-efficient, environmentally friendly technology that will be presented is the result of a Space Act Agreement between -Technologies Worldwide, Inc., and the National Aeronautics and Space Administration s (NASA s) Marshall Space Flight Center (MSFC). This work combines semiconductor and printing technologies to advance lightweight electronic and photonic devices having excellent potential for commercial and exploration applications, and is an example of industry and government cooperation that leads to novel inventions. Device development involves three energy generation and consumption projects: 1) a low mass efficient (low power, low heat emission) micro light-emitting diode (LED) area lighting device; 2) a low-mass omni-directional efficient photovoltaic (PV) device with significantly improved energy capture; and 3) a new approach to building supercapacitors. These three technologies - energy capture, storage, and usage (e.g., lighting) - represent a systematic approach for building efficient local micro-grids that are commercially feasible; furthermore, these same technologies will be useful for lightweight power generation that enables inner planetary missions using smaller launch vehicles and facilitates surface operations. The PV device model is a two-sphere, light-trapped sheet approximately 2-mm thick. The model suggests a significant improvement over current thin film systems. All three components may be printed in line by printing sequential layers on a standard screen or flexographic direct impact press using the threedimensional printing technique (3DFM) patented by NthDegree. MSFC is testing the robustness of prototype devices in the harsh space and lunar surface environments, and available results will be reported. Unlike many traditional light sources, this device does not contain toxic compounds, and the LED component has passed stringent off-gassing tests required for potential manifesting on spacecraft such as the International Space Station. Future exploration missions will benefit from "green" technology lighting devices such as this, which show great promise for both terrestrial use and space missions.

Frazier, Donald O.↗

DOE OSTI2024

Determining the N -Representability of a Reduced Density Matrix via Unitary Evolution and Stochastic Sampling

The N-representability problem consists in determining whether, for a given p-body matrix, there exists at least one N-body density matrix from which the p-body matrix can be obtained by contraction, that is, if the given matrix is a p-body reduced density matrix (p-RDM). The knowledge of all necessary and sufficient conditions for a p-body matrix to be N-representable allows the constrained minimization of a many-body Hamiltonian expectation value with respect to the p-body density matrix and, thus, the determination of its exact ground state. However, the number of constraints that complete the N-representability conditions grows exponentially with system size, and hence, the procedure quickly becomes intractable for practical applications. This work introduces a hybrid quantum-stochastic algorithm to effectively replace the N-representability conditions. The algorithm consists of applying to an initial N-body density matrix a sequence of unitary evolution operators constructed from a stochastic process that successively approaches the reduced state of the density matrix on a p-body subsystem, represented by a p-RDM, to a target p-body matrix, potentially a p-RDM. The generators of the evolution operators follow the well-known adaptive derivative-assembled pseudo-Trotter method (ADAPT), while the stochastic component is implemented by using a simulated annealing process. The resulting algorithm is independent of any underlying Hamiltonian, and it can be used to decide whether a given p-body matrix is N-representable, establishing a criterion to determine its quality and correcting it. We apply the proposed hybrid ADAPT algorithm to alleged reduced density matrices from a quantum chemistry electronic Hamiltonian, from the reduced Bardeen–Cooper–Schrieffer model with constant pairing, and from the Heisenberg XXZ spin model. In all cases, the proposed method behaves as expected for 1-RDMs and 2-RDMs, evolving the initial matrices toward different targets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2011

Thrust Stand Measurements Using Alternative Propellants in the Microwave Assisted Discharge Inductive Plasma Accelerator

Storable propellants (for example water, ammonia, and hydrazine) are attractive for deep space propulsion due to their naturally high density at ambient interplanetary conditions, which obviates the need for a cryogenic/venting system. Water in particular is attractive due to its ease of handling and availability both terrestrially and extra-terrestrially. While many storable propellants are reactive and corrosive, a propulsion scheme where the propellant is insulated from vulnerable (e.g. metallic) sections of the assembly would be well-suited to process these otherwise incompatible propellants. Pulsed inductive plasma thrusters meet this criterion because they can be operated without direct propellant-electrode interaction. During operation of these devices, electrical energy is capacitively stored and then discharged through an inductive coil creating a time-varying current in the coil that interacts with a plasma covering the face of the coil to induce a plasma current. Propellant is accelerated and expelled at a high exhaust velocity (O(10-100 km/s)) by the Lorentz body force arising from the interaction of the magnetic field and the induced plasma current. While this class of thruster mitigates the life-limiting issues associated with electrode erosion, many pulsed inductive plasma thrusters require high pulse energies to inductively ionize propellant. The Microwave Assisted Discharge Inductive Plasma Accelerator (MAD-IPA) is a pulsed inductive plasma thruster that addressees this issue by partially ionizing propellant inside a conical inductive coil before the main current pulse via an electron cyclotron resonance (ECR) discharge. The ECR plasma is produced using microwaves and a static magnetic field from a set of permanent magnets arranged to create a thin resonance region along the inner surface of the coil, restricting plasma formation, and in turn current sheet formation, to a region where the magnetic coupling between the plasma and the theta-pinch coil is high. The use of a conical theta-pinch coil also serves to provide neutral propellant containment and plasma plume focusing that is improved relative to the more common planar geometry of the Pulsed Inductive Thruster (PIT). In this paper, we describe thrust stand measurements performed to evaluate the specific impulse and thrust efficiency of the MAD-IPA for a variety of propellants. Propellants tested include both widely-used, non-reactive noble gases like argon, and rarely-used propellants such as water, hydrazine and ammonia. Dependencies of impulse data on propellant species are discussed in the context of the current sheet formation and electromagnetic plasma acceleration processes.

Hallock, Ashley K.↗

NASA NTRS2000

Electrodynamic Balance for Studies of Cosmic Dust Particles

Knowledge of the formation and distribution of interstellar, interplanetary, and planetary dust grains, and their physical, chemical and optical characteristics provide valuable information about many issues dealing with the origin and formation of the solar system bodies, interplanetary and interstellar environments as well as various industrial processes. Understanding the microphysics of individual grains and their interaction with the surrounding, environment is key to properly model various conditions and interpret existing data. The theory and models of individual dust grains are well developed for environments that vary from dense planetary atmospheres to dusty plasmas to diffuse environments such as interplanetary space. However, experimental investigations of individual dust grains in equilibrium are less common, perhaps due to the difficulty of these experiments. Laboratory measurements of dust grains have primarily measured ensemble properties or transient properties of single grains. A technique developed in the 1950's for ion spectroscopy, generally referred to as a quadrupole trap has recently been employed as an electrodynamic balance to investigate single micron-sized dust grains and for atmospheric aerosol research. A description of the theoretical basis and the experimental setup of the electrodynamic balance being developed in our laboratory are given. This laboratory technique lends itself to many applications that relate to planetary atmospheres, heliospheric environments, pre-stellar and pre-planetary conditions, and industrial settings. We present results from some recent experiments carried out to investigate the equilibrium potential of dust grains exposed to far ultraviolet light or to an electron beam. Some future experiments using an electrodynamic balance to investigate the optical characteristics, and condensation process involving dust grains in various astrophysical environments are discussed.

Spann, J. F.↗