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Results for “optimal state preparation”

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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Application of digital computer APU modeling techniques to control system design.

Study of the required controls for a H2-O2 auxiliary power unit (APU) technology program for the Space Shuttle. A steady-state system digital computer program was prepared and used to optimize initial system design. Analytical models of each system component were included. The program was used to solve a nineteen-dimensional problem, and then time-dependent differential equations were added to the computer program to simulate transient APU system and control. Some system parameters were considered quasi-steady-state, and others were treated as differential variables. The dynamic control analysis proceeded from initial ideal control modeling (which considered one control function and assumed the others to be ideal), stepwise through the system (adding control functions), until all of the control functions and their interactions were considered. In this way, the adequacy of the final control design over the required wide range of APU operating conditions was established.

Bailey, D. A.↗
NASA NTRSDate not supplied

Exploring Quantum State Preparation Using Tensor Networks and Sparse Wavefunction Simulations

The variational quantum eigenvalue solver is a powerful hybrid quantum-classical approach that has been suggested as a candidate method to run on near-term quantum hardware for computing ground state electronic energies of molecular systems. However, even for small molecules, the number of variational parameters and qubits required to minimize the electronic energy is beyond the reach of current quantum computers except for small basis sets. We explore a new paradigm for state preparation where we test how much of the optimization can be approximately prepared with classical computers to reduce the number of optimization steps performed using a quantum device. By adapting a recent algorithm for the factorized form of the UCC ansatz, we can study molecular electronic structure problems with up to 64 qubits. In addition, we also test a related approach of using tensor networks to optimize quantum circuits in order to benchmark various lattice models. We present results using these approaches and discuss strategies for incorporating these ideas into variational algorithms involving near-term quantum computers. Our results help demonstrate the strength of the UCC ansatz and address pressing questions about optimal initial parameterizations and circuit construction.

quantum computing↗
NASA NTRS2022

Scientific Value of Including an Atmospheric Sample as Part of Mars Sample Return (MSR)

The Perseverance rover is meant to collect samples of the martian surface for eventual return to Earth. The headspace gas present over the solid samples within the sample tubes will be of significant scientific interest for what it reveals about the interactions of the solid samples with the trapped atmosphere and for what it will reveal about the martian atmosphere itself. However, establishing the composition of the martian atmosphere will require other dedicated samples. The headspace gas as the sole atmospheric sample is problematic for many reasons. The quantity of gas present within the sample tube volume is insufficient for many investigations, and there will be exchange between solid samples, headspace gas, and tube walls. Importantly, the sample tube materials and preparation were not designed for optimal Mars atmospheric gas collection and storage as they were not sent to Mars in a degassed evacuated state and have been exposed to both Earth's and Mars' atmospheres. Additionally, there is a risk of unconstrained seal leakage in transit back to Earth, which would allow fractionation of the sample (leak-out) and contamination (leak-in). The science return can be improved significantly (and, in some cases, dramatically) by adding one or more of several strategies listed here in increasing order of effectiveness and difficulty of implementation: (1) Having Perseverance collect a gas sample in an empty sample tube, (2) Collecting gas in a newly-designed, valved, sample-tube-sized vessel that is flown on either the Sample Fetch Rover (SFR) or the Sample Retrieval Lander (SRL), (3) Adding a larger (50-100 cc) dedicated gas sampling volume to the Orbiting Sample container (OS), (4) Adding a larger (50-100 cc) dedicated gas sampling volume to the OS that can be filled with compressed martian atmosphere.

Timothy D. Swindle↗
NASA NTRS2004

Spectroscopic Determination of the Physical Conditions in Hot Optically Thin Sources

Astrophysical Plasma Emission Database - APED consists of atomic data, primarily theoretical, needed to calculate X-ray through optical emission spectra of hot thermal plasmas. These data are supplemented by experimental values, such as laboratory plasma wave- lengths, and are validated by experiment only rarely. Thus the comparison of predicted spectra to astrophysical spectra serves as invaluable feedback on the quality of the models. Following up on unfavorable comparisons, we have communicated atomic data needs to atomic theorists and experimental plasma physicists so that improvements can be made to the database. The database is now reasonably complete from approx. 1 to 30 A, and from - 90 to 180 A, with significant gaps remaining in the range 30 to 90 A. Astrophysical Plasma Emission Code - APEC uses the APED data as inputs and computes level populations and line emissivities using a rate matrix solver. Tabulated models for a fine grid of temperatures and densities can be applied to observational data. The current public version of APEC output uses an input ionization balance model, assuming CIE; however, we have a working version to calculate the ionization state of the gas. We will begin testing non-equilibrium ionization (NEI) models over the next year - we are now finalizing the atomic database needed to perform the ionization state calculations. At that time, the code will be made public. We have developed optimized error codes, additional testing protocols and substantial documentation, in preparation for this public release. Secondarily, we have begun to investigate the use of APED and APEC for X-ray photoionized plasma, beginning with opacity modeling (e.g. warm absorbers). Application to bright AGN Chandra grating spectra suggests that the accurate wavelengths in APED are of great importance to fitting the data. We are exploring additional subroutines to APEC to extend its usefulness for X-ray photoionized plasma, e.g. to include collisional or photo-excitation of metastable levels for absorption.

Oliversen, Ronald J.↗
NASA NTRS2002

Glennan Microsystems Initiative

During the 2001-2002 award period, we performed research on Pt/Ti/bare 6H-SiC and bare 4H-SiC interfaces in order to identify their electronic properties as a function of surface preparation. The overall aim of this work is to optimize the electronic properties of metal contacts to SiC as well as the active SiC material itself as a function of surface preparation and subsequent processing. Initially, this work has involved identifying bare surface, subsurface, and metal induced gap states at the metal-SiC contact and correlating energies and densities of deep levels with Schottky barrier heights. We used low energy electron-excited nanoluminescence (LEEN) spectroscopy, X-ray photoemission spectroscopy (XPS), and Secondary Ion Mass Spectrometry (SIMS) in order to correlate electronic states and energy bands with chemical composition, bonding, and crystal structure. A major development has been the discovery of polytype transformations that occur in 4H-SiC under standard microelectronic process conditions used to fabricate SiC devices. Our results are consistent with the stacking fault generation, defect formation, and consequent degradation of SiC recently reported for state-of-the-art ABB commercial diodes under localized electrical stress. Our results highlight the importance of -optimizing process conditions and material properties - anneal times, temperatures and doping to control such structural changes within epitaxial SiC layers. Thus far, we have established threshold times and temperatures beyond which 4H-SiC exhibits 3C-SiC transformation bands for a subset of dopant concentrations and process conditions. On the basis of this temperature time behavior, we have been able to establish an activation energy of approximately 2.5 eV for polytype transformation and dislocation motion. Work continues to establish the fundamental mechanisms underlying the polytype changes and its dependence on material parameters.

Brillson, Leonard J.↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^8 determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

J Wayne Mullinax↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^(8) determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

Quantum Computing↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^(8) determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

Quantum Computing↗
NASA NTRS2015

CapiBRIC- Capillary-Based Brine Residual In-Containment for Secondary Water Recovery

One of the goals of the AES Life Support Systems Project is to achieve 98% water loop closure for long-duration human exploration missions. Brine water recovery is the primary technology gap that must be bridged to realize this goal. In response to an Agency call for technologies to compete in an October down-select, Capi-BRIC was chosen through a JSC down-select as the strongest candidate to go forward. This resulted in a period of intense development to increase its TRL in preparation for the Agency down-select. This was achieved through rapid prototype design, fabrication, and test at JSC and in a zero-g drop tower at Portland State University. INNOVATION CapiBRIC takes a novel approach of optimizing the containment geometry to support capillary flow and static phase separation to enable evaporation in a microgravity environment. OUTCOME TRL was advanced from 3 to 4, and was selected for continued funding through the AES program. CapiBRIC is poised for development into an ISS technology demonstration, proving its viability as an enabling technology for exploration.

Sargusingh, Miriam↗
NASA NTRSDate not supplied

Derivation and Testing of Consumptive Water Use Fraction for Specialty Crops

The Crop Consumptive Use Fraction (CCUF) expresses beneficial water use in the form of seasonal evapotranspiration of applied water (ETAW), relative to total irrigation volume. The metric is an indicator of the efficiency of agricultural water use and is a recommended component for preparation of agricultural water management plans in California. An FAO-56 based web application has been developed to facilitate retrospective evaluation of ETAW, and hence CCUF, at field level. The current application is optimized for prevailing climate in four of the state’s main growing regions: San Joaquin Valley, Sacramento Valley, Central Coast, and North Coast. User inputs include crop type, soil texture, irrigation method, daily irrigation volume, daily rainfall, and seasonal start/stop dates to define the analysis period. Time series of fractional green canopy cover (Fc), based on Landsat and Sentinel-2 Earth-resource satellite observations, are imported from NASA’s Satellite Irrigation Management Support (SIMS) system. Grass reference evapotranspiration (ETo) time series are accessed from Spatial CIMIS (California Irrigation Management Information System). Daily crop height (h) is estimated as a simple function of typical maximum height for the given crop type (from FAO-56) and Fc. A vegetation density coefficient (Kd) is derived from Fc and h. Stomatal control factors during mid-and late-season are applied to tree and vine crops. Typical values for minimum daily relative humidity and mean daily windspeed, derived from historical CIMIS weather data, are used to correct for regional deviations from standard climate (defined as RHmin=45%, windspeed =2m/s). The resulting daily basal crop coefficient (Kcb) represents the ET of a well-watered crop with minimal soil evaporation, relative to ETo. A soil water balance sub-model for the top 0.1 m is used to calculate daily evaporation coefficients (Ke). A second sub-model applies to the root zone to calculate crop water stress coefficients (Ks) and effective precipitation (Pe), which is the fraction of rainfall that is available for crop use. Those coefficients are combined with Kcb and ETo to calculate daily ETc. ETAW is then derived as cumulative ETc less cumulative Pe. For verification purposes, sensor installations were used to measure seasonal ETc in commercial fields for several annual and perennial specialty crops by soil water balance and energy balance methods. Model estimates of seasonal ETc show mean absolute error of <10% compared to the ground measurements.

Derivation↗
NASA NTRS1985

Raman structural studies of the nickel electrode

Raman spectroscopy is sensitive to empirically controlled nickel electrode structural variations, and has unique potential for structural characterization of these materials. How the structure relates to electrochemical properties is examined so that the latter can be more completely understood, controlled, and optimized. Electrodes were impregnated and cycled, and cyclic voltammetry is being used for electrochemical characterization. Structural variation was observed which has escaped detection using other methods. Structural changes are induced by: (1) cobalt doping, (2) the state of change or discharge, (3) the preparation conditions and type of buffer used, and (4) the formation process. Charged active mass has an NiOOH-type structure, agreeing with X-ray diffraction results. Discharged active mass, however, is not isostructural with beta-Ni(OH)2. Chemically prepared alpha phases are not isostructural either. A disordered structural model, containing point defects, is proposed for the cycled materials. This model explains K(+) incorporation. Band assignments were made and spectra interpreted for beta-Ni(OH)2, electrochemical NiOOH and chemically precipitated NiOOH.

Cornilsen, B. C.↗
NASA NTRS2013

Optimal Propellant Maneuver Flight Demonstrations on ISS

In this paper, first ever flight demonstrations of Optimal Propellant Maneuver (OPM), a method of propulsive rotational state transition for spacecraft controlled using thrusters, is presented for the International Space Station (ISS). On August 1, 2012, two ISS reorientations of about 180deg each were performed using OPMs. These maneuvers were in preparation for the same-day launch and rendezvous of a Progress vehicle, also a first for ISS visiting vehicles. The first maneuver used 9.7 kg of propellant, whereas the second used 10.2 kg. Identical maneuvers performed without using OPMs would have used approximately 151.1kg and 150.9kg respectively. The OPM method is to use a pre-planned attitude command trajectory to accomplish a rotational state transition. The trajectory is designed to take advantage of the complete nonlinear system dynamics. The trajectory choice directly influences the cost of the maneuver, in this case, propellant. For example, while an eigenaxis maneuver is kinematically the shortest path between two orientations, following that path requires overcoming the nonlinear system dynamics, thereby increasing the cost of the maneuver. The eigenaxis path is used for ISS maneuvers using thrusters. By considering a longer angular path, the path dependence of the system dynamics can be exploited to reduce the cost. The benefits of OPM for the ISS include not only reduced lifetime propellant use, but also reduced loads, erosion, and contamination from thrusters due to fewer firings. Another advantage of the OPM is that it does not require ISS flight software modifications since it is a set of commands tailored to the specific attitude control architecture. The OPM takes advantage of the existing ISS control system architecture for propulsive rotation called USTO control mode1. USTO was originally developed to provide ISS Orbiter stack attitude control capability for a contingency tile-repair scenario, where the Orbiter is maneuvered using its robotic manipulator relative to the ISS. Since 2005 USTO has been used for nominal ISS operations.

Bhatt, Sagar↗
NASA NTRS1981

An implementation of the programming structural synthesis system (PROSSS)

A particular implementation of the programming structural synthesis system (PROSSS) is described. This software system combines a state of the art optimization program, a production level structural analysis program, and user supplied, problem dependent interface programs. These programs are combined using standard command language features existing in modern computer operating systems. PROSSS is explained in general with respect to this implementation along with the steps for the preparation of the programs and input data. Each component of the system is described in detail with annotated listings for clarification. The components include options, procedures, programs and subroutines, and data files as they pertain to this implementation. An example exercising each option in this implementation to allow the user to anticipate the type of results that might be expected is presented.

Rogers, J. L., Jr.↗
NASA NTRS1990

Stabilization of high T(sub c) phase in bismuth cuprate superconductor by lead doping

It has widely been ascertained that doping of lead in Bi:Sr:Ca:Cu:O systems promotes the growth of high T(sub c) (110 K) phase, improves critical current density, and lowers processing temperature. A systematic investigation is undertaken to determine optimum lead content and processing conditions to achieve these. A large number of samples with cationic compositions of Bi(2-x)Pb(x)Sr2Ca2Cu3 (x = 0.2 to 2.0) were prepared by conventional solid state reaction technique. Samples of all compositions were annealed together at a temperature and characterized through resistance-temperature (R-T) measurements and x ray diffraction (XRD) to determine the zero resistance temperature, T(sub c)(0) and to identify presence of phases, respectively. The annealing temperature was varied between 790 C to optimize processing parameters. Results are given. In brief, an optimum process is reported along with composition of leaded bismuth cuprate superconductor which yields nearly a high T(sub c) single phase with highly stable superconducting properties.

Gupta, Ram. P.↗
NASA NTRS1991

Stabilization of high Tc phase in bismuth cuprate superconductor by lead doping

It has been widely ascertained that doping of lead in Bi-Sr-Ca-Cu-O systems promotes the growth of high T sub c (110 K) phase, improves critical current density, and lowers processing temperature. A systematic study was undertaken to determine optimum lead content and processing conditions to achieve these properties. A large number of samples with cationic compositions of Bi(2-x)Pb(x)Sr2Ca2Cu3 (x = 0.2 to 2.0) were prepared by conventional solid state reaction technique. Samples of all compositions were annealed together at a temperature and characterized through resistance temperature (R-T) measurements and x ray diffraction to determine the zero resistance temperature, T sub c(0) and to identify presence of phases, respectively. The annealing temperature was varied between 790 and 880 C to optimize processing parameters. Results are given. In brief, an optimum process is reported along with composition of leaded bismuth cuprate superconductor which yields nearly a high T sub c single phase with highly stable superconducting properties.

Gupta, Ram. P.↗
NASA NTRS1986

Optimization of aircraft interior panels

Eight different graphite composite panels were fabricated using four different resin matrices. The resin matrices included Hercules 71775, a blend of vinylpolystyrpyridine and bismaleimide, H795, a bismaleimide, Cycom 6162, a phenolic, and PSP 6022M, a polystyrylpyridine. Graphite panels were fabricated using fabric or unidirectional tape. This report describes the processes for preparing these panels and some of their mechanical, thermal and flammability properties. Panel properties are compared with state-of-the-art epoxy fiberglass composite panels.

Kourtides, Demetrius A.↗
NASA NTRS1981

Crop-phenology and LANDSAT-based irrigated lands inventory in the high plains

Crop calendars for 1979 and 1980 were investigated in support of an effort to develop techniques for mapping the High Plains aquifer region. Optimal LANDSAT image dates for 1980 were preliminarily identified based on ESS weekly crop weather reports and 1979 ESS agricultural statistics were entered into the computer. A questionnaire was compiled and sent to ASCS county agents with the approval of the Extension Directors in each state involved. Data from returning questionnaires were tabulated and development started on a set of computer programs to allow the preparation of computer assisted graphic displays of much of the collected data.

Martinko, E. A.↗
NASA NTRS2023

Exploring the Complexities of Drug Formulation Selection, Storage, and Shelf-Life for Exploration Spaceflight

Medications have been a part of space travel dating back as far as the Apollo missions. Currently, medical kits aboard the ISS contain medications and supplies to help crew members cope with a variety of possible medical events. NASA reported that 1,867 medical events occurred from 1981 to 1998 on space shuttle flights, STS-1 to STS-89; 498 out of the 508 crewmembers on those flights reported experiencing a medical event other than space motion sickness. In 2000, the Institute of Medicine (IOM) convened a committee of experts, Committee on Creating a Vision for Space Medicine during Travel beyond Earth Orbit, to examine the issues surrounding astronaut health and safety for long duration space missions. The primary theme of the committee’s final report is that there is not enough known about the risks to human health during long-duration missions beyond Earth’s orbit and ways to effectively mitigate those risks in an environment of deep space. In 2014, the IOM convened the Committee on Ethics Principles and Guidelines for Health Standards for Long Duration and Exploration Spaceflights and released a report emphasizing the importance of prevention, mitigation, and treatment of major risks to human health during exploration spaceflight. NASA’s Human Research Program has organized five distinct categories of spaceflight hazards summarized by the acronym “RIDGE” (Space Radiation, Isolation and Confinement, Distance from Earth, Gravity fields, and Hostile/Closed Environments) that astronauts may encounter during exploration spaceflight. From those hazards, NASA further derived 30 of the most critical human health and performance risks, including limits to medical care resulting from pharmaceutical degradation. As we prepare for more distant exploration missions to Mars and beyond, risk management planning for astronaut healthcare should include the assembly of a medication formulary that is comprehensive enough to prevent or treat anticipated medical events, remains safe and chemically stable, and retains sufficient potency to last for the duration of the mission. The present editorial will summarize the current state of knowledge regarding innovative formulary optimization strategies, pharmaceutical stability assessment techniques, and storage and packaging solutions that could enhance drug safety and efficacy for future exploration spaceflight missions.

drug degradation risk assessment↗