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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 19 records

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↗

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↗

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↗

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↗

Cycle Time Reduction in Trapped Mercury Ion Atomic Frequency Standards

The use of the mercury ion isotope (201)Hg(+) was examined for an atomic clock. Taking advantage of the faster optical pumping time in (201)Hg(+) reduces both the state preparation and the state readout times, thereby decreasing the overall cycle time of the clock and reducing the impact of medium-term LO noise on the performance of the frequency standard. The spectral overlap between the plasma discharge lamp used for (201)Hg(+) state preparation and readout is much larger than that of the lamp used for the more conventional (199)Hg(+). There has been little study of (201)Hg(+) for clock applications (in fact, all trapped ion clock work in mercury has been with (199)Hg(+); however, recently the optical pumping time in (201)Hg(+) has been measured and found to be 0.45 second, or about three times faster than in (199)Hg(+) due largely to the better spectral overlap. This can be used to reduce the overall clock cycle time by over 2 seconds, or up to a factor of 2 improvement. The use of the (201)Hg(+) for an atomic clock is totally new. Most attempts to reduce the impact of LO noise have focused on reducing the interrogation time. In the trapped ion frequency standards built so far at JPL, the optical pumping time is already at its minimum so that no enhancement can be had by shortening it. However, by using (201)Hg(+), this is no longer the case. Furthermore, integrity monitoring, the mechanism that determines whether the clock is functioning normally, cannot happen faster than the clock cycle time. Therefore, a shorter cycle time will enable quicker detection of failure modes and recovery from them.

Burt, Eric A.↗

Solid State Electrolytes Prepared from PEO (360) Silanated Silica

All solid state composite electrolytes were prepared using fumed silica (SiO2) silanated with an oligomeric polyethylene oxide (PEO) silane containing 6-9 ethylene oxide repeat units, a PEO matrix and LiClO4 (8/1 O/Li). The PEO-silane covalently attached to the silica was amorphous, with a T(sub g) that increased from -90 C to -53 C after attachment. The conductivity of films prepared using the PEO-silanated silica increased to approx. 6 x 10(exp -5) S/cm at RT compared with approx. 1 x 10(-5) S/cm for films prepared with unsilanated SiO2.

Maitra, P.↗

Modifying Operating Cycles to Increase Stability in a LITS

The short-term instability in the frequency of a linear-ion-trap frequency standard (LITS) can be reduced by modifying two cycles involved in its operation: (1) the bimodal (bright/dim) cycle of a plasma discharge lamp used for state preparation and detection and (2) a microwave-interrogation cycle. The purpose and effect of the modifications is to enable an increase in the microwave- interrogation cycle time, motivated by the general principle that the short-term uncertainty or instability decreases with increasing microwave-interrogation time. Stated from a slightly different perspective, the effect of modifications is to enable the averaged LITS readings to settle to their longterm stability over a shorter total observation time. The basic principles of a LITS were discussed in several NASA Tech Briefs articles. Here are recapitulated only those items of background information necessary to place the present modifications in context. A LITS includes a microwave local oscillator, the frequency of which is stabilized by comparison with the frequency of a ground-state hyperfine transition of Hg-199(+) ions. In a LITS of the type to which the modifications apply, the comparison involves a combination of optical and micro wave excitation and interrogation of the ions in two collinear ion traps: a quadrupole trap wherein the optical excitation used for state preparation and detection takes place, and a multipole (e.g., 12-pole) trap wherein the microwave interrogation of the clock transition takes place. The ions are initially loaded into the quadrupole trap and are thereafter shuttled between the two traps. This concludes the background information.

Burt, Eric↗

Ion-Atom Cold Collisions and Atomic Clocks

Collisions between ultracold neutral atoms have for some time been the subject of investigation, initially with hydrogen and more recently with laser cooled alkali atoms. Advances in laser cooling and trapping of neutral atoms in a Magneto-Optic Trap (MOT) have made cold atoms available as the starting point for many laser cooled atomic physics investigations. The most spectacularly successful of these, the observation of Bose-Einstein Condensation (BEC) in a dilute ultra-cold spin polarized atomic vapor, has accelerated the study of cold collisions. Experimental and theoretical studies of BEC and the long range interaction between cold alkali atoms is at the boundary of atomic and low temperature physics. Such studies have been difficult and would not have been possible without the development and advancement of laser cooling and trapping of neutral atoms. By contrast, ion-atom interactions at low temperature, also very difficult to study prior to modern day laser cooling, have remained largely unexplored. But now, many laboratories worldwide have almost routine access to cold neutral atoms. The combined technologies of ion trapping, together with laser cooling of neutrals has made these studies experimentally feasible and several very important, novel applications might come out of such investigations . This paper is an investigation of ion-atom interactions in the cold and ultra-cold temperature regime. Some of the collisional ion-atom interactions present at room temperature are very much reduced in the low temperature regime. Reaction rates for charge transfer between unlike atoms, A + B(+) approaches A(+) + B, are expected to fall rapidly with temperature, approximately as T(sup 5/2). Thus, cold mixtures of atoms and ions are expected to coexist for very long times, unlike room temperature mixtures of the same ion-atom combination. Thus, it seems feasible to cool ions via collisions with laser cooled atoms. Many of the conventional collisional interactions, exploited as a useful tool at room temperature and higher, are greatly enhanced at low energy. For example, collisional spin transfer from one species of polarized atoms to another has long been a useful method for polarizing a sample of atoms where no other means was available. Because optical pumping cannot be used to polarize the nuclear spin of Xe-129 or He-3 (for use in nmr imaging of the lungs), the nuclear spins are polarized via collisions with an optically pumped Rb vapor in a cell containing both gases. In another case, a spin polarized thermal Cs beam was used to polarize the hyperfine states of trapped He(+)-3 ions in order to measure their hyperfine clock transition frequency. The absence of an x-ray light source to optically pump the ground state of the He(+)-3 ion necessitated this alternative state preparation. Similarly, Cd(+) and Sr(+) ions were spin-oriented via collisions in a cell with optically pumped Rb vapor. Resonant RF spin changing transitions in the ground state of the ions were detected by changes in the Rb resonance light absorption. Because cold collision spin exchange rates scale with temperature as T(sup -1/2) this technique is expected to be a far more powerful tool than the room temperature counterpart. This factor of 100 or more enhancement in spin exchange reaction rates at low temperatures is the basis for a novel trapped ion clock where laser cooled neutrals will cool, state select and monitor the ion clock transition. The advantage over conventional direct laser cooling of trapped ions is that the very expensive and cumbersome UV laser light sources, required to excite the ionic cooling transition, are effectively replaced by simple diode lasers.

Prestage, John D.↗

Physical origin of the frequency shifts in cesium beam frequency standards: Related environmental sensitivity

When observed in a cesium beam frequency standard, the hyperfine transition frequency of the atoms differs slightly from the invariant transition frequency of the unperturbed atoms at rest. The various physical and technical origins of the frequency offsets are stated. They relate to fundamental physical effects, to the method of probing the atomic resonance and to the frequency control of the slaved oscillator. The variation of the frequency offsets under a change of the value of the internal operating characteristics is considered. The sensitivity to a change of the magnetic induction, the microwave power, and the temperature is given. A comparison is made of the sensitivity of cesium beam frequency standards of the commercially available type, making use of magnetic state selection, and of devices under study, in which the state preparation and detection is accomplished optically. The pathways between the external stimuli and the physical origin of the frequency offsets are specified.

Audoin, Claude↗

Flight and Integrated Vehicle Testing: Laying the Groundwork for the Next Generation of Space Exploration Launch Vehicles

Integrated vehicle testing will be critical to ensuring proper vehicle integration of the Ares I crew launch vehicle and Ares V cargo launch vehicle. The Ares Projects, based at Marshall Space Flight Center in Alabama, created the Flight and Integrated Test Office (FITO) as a separate team to ensure that testing is an integral part of the vehicle development process. As its name indicates, FITO is responsible for managing flight testing for the Ares vehicles. FITO personnel are well on the way toward assembling and flying the first flight test vehicle of Ares I, th Ares I-X. This suborbital development flight will evaluate the performance of Ares I from liftoff to first stage separation, testing flight control algorithms, vehicle roll control, separation and recovery systems, and ground operations. Ares I-X is now scheduled to fly in summer 2009. The follow-on flight, Ares I-Y, will test a full five-segment first stage booster and will include cryogenic propellants in the upper stage, an upper stage engine simulator, and an active launch abort system. The following flight, Orion 1, will be the first flight of an active upper stage and upper stage engine, as well as the first uncrewed flight of an Orion spacecraft into orbit. The Ares Projects are using an incremental buildup of flight capabilities prior to the first operational crewed flight of Ares I and the Orion crew exploration vehicle in 2015. In addition to flight testing, the FITO team will be responsible for conducting hardware, software, and ground vibration tests of the integrated launch vehicle. These efforts will include verifying hardware, software, and grou handling interfaces. Through flight and integrated testing, the Ares Projects will identify and mitigate risks early the United States prepares to take its next giant leaps to the Moon and beyond.

Taylor, Jim↗

Flight and Integrated Vehicle Testing: Laying the Groundwork for the Next Generation of Space Exploration Launch Vehicles

Integrated vehicle testing will be critical to ensuring proper vehicle integration of the Ares I crew launch vehicle and Ares V cargo launch vehicle. The Ares Projects, based at Marshall Space Flight Center in Alabama, created the Flight and Integrated Test Office (FITO) as a separate team to ensure that testing is an integral part of the vehicle development process. As its name indicates, FITO is responsible for managing flight testing for the Ares vehicles. FITO personnel are well on the way toward assembling and flying the first flight test vehicle of Ares I, the Ares I-X. This suborbital development flight will evaluate the performance of Ares I from liftoff to first stage separation, testing flight control algorithms, vehicle roll control, separation and recovery systems, and ground operations. Ares I-X is now scheduled to fly in summer 2009. The follow-on flight, Ares I-Y, will test a full five-segment first stage booster and will include cryogenic propellants in the upper stage, an upper stage engine simulator, and an active launch abort system. The following flight, Orion 1, will be the first flight of an active upper stage and upper stage engine, as well as the first uncrewed flight of an Orion spacecraft into orbit. The Ares Projects are using an incremental buildup of flight capabilities prior to the first operational crewed flight of Ares I and the Orion crew exploration vehicle in 2015. In addition to flight testing, the FITO team will be responsible for conducting hardware, software, and ground vibration tests of the integrated launch vehicle. These efforts will include verifying hardware, software, and ground handling interfaces. Through flight and integrated testing, the Ares Projects will identify and mitigate risks early as the United States prepares to take its next giant leaps to the Moon and beyond.

Taylor, J. L.↗

Preparing Quantum Many-Body Scar States on Quantum Computers

Quantum many-body scar states are highly excited eigenstates of many-body systems that exhibit atypical entanglement and correlation properties relative to other eigenstates at the same energy density. Scar states also give rise to infinitely long-lived coherent dynamics when the system is prepared in a special initial state having finite overlap with them. Many models with exact scar states have been constructed, but the fate of scarred eigenstates and dynamics when these models are perturbed is difficult to study with classical computational techniques. In this work, we propose state preparation protocols for individual scar states in a particular model, as well as superpositions of them that give rise to coherent dynamics. For superpositions of scar states, we propose both a linear depth unitary and a finite-depth nonunitary state preparation protocol, the latter of which uses measurement and postselection to reduce the circuit depth. For individual scarred eigenstates, we propose a circuit architecture with polynomial depth. We also provide proof of principle implementations of these protocols on superconducting quantum hardware.

Quantum Computing↗

Kennedy Space Center: Constellation Program Electrical Ground Support Equipment Research and Development

The Kennedy Space Center (KSC) is NASA's spaceport, launching rockets into space and leading important human spaceflight research. This spring semester, I worked at KSC on Constellation Program electrical ground support equipment through NASA's Undergraduate Student Research Program (USRP). This report includes a discussion of NASA, KSC, and my individual research project. An analysis of Penn State's preparation of me for an internship and my overall impressions of the Penn State and NASA internship experience conclude the report.

McCoy, Keegan↗

The Pennsylvania defoliation application pilot test

Satellite imagery for the State of Pennsylvania was digitally mosaicked to provide the seed data base for monitoring defoliation of hardwood trees by the gypsy moth. Two separate mosaics for the state were prepared, one before defoliation and one after defoliation, to determine the extent, direction, and impact of gypsy moth activity in the state. The digital mosaic technology used to construct the data base was transferred to Pennsylvania State University to permit periodic updates to the data base and to assist in planning and abatement activities. Participating agencies or institutions included Goddard Space Flight Center and the Pennsylvania State University Office for Remote Sensing of Earth Resources.

Mcleod, R. G.↗

Data assimilation and model evaluation experiment datasets

The Institute for Naval Oceanography, in cooperation with Naval Research Laboratories and universities, executed the Data Assimilation and Model Evaluation Experiment (DAMEE) for the Gulf Stream region during fiscal years 1991-1993. Enormous effort has gone into the preparation of several high-quality and consistent datasets for model initialization and verification. This paper describes the preparation process, the temporal and spatial scopes, the contents, the structure, etc., of these datasets. The goal of DAMEE and the need of data for the four phases of experiment are briefly stated. The preparation of DAMEE datasets consisted of a series of processes: (1) collection of observational data; (2) analysis and interpretation; (3) interpolation using the Optimum Thermal Interpolation System package; (4) quality control and re-analysis; and (5) data archiving and software documentation. The data products from these processes included a time series of 3D fields of temperature and salinity, 2D fields of surface dynamic height and mixed-layer depth, analysis of the Gulf Stream and rings system, and bathythermograph profiles. To date, these are the most detailed and high-quality data for mesoscale ocean modeling, data assimilation, and forecasting research. Feedback from ocean modeling groups who tested this data was incorporated into its refinement. Suggestions for DAMEE data usages include (1) ocean modeling and data assimilation studies, (2) diagnosis and theoretical studies, and (3) comparisons with locally detailed observations.

Lai, Chung-Cheng A.↗

Lunar Polar Environmental Testing: Regolith Simulant Conditioning

As ISRU system development approaches flight fidelity, there is a need to test hardware in relevant environments. Extensive laboratory and field testing have involved relevant soil (lunar regolith simulants), but the current design iterations necessitate relevant pressure and temperature conditions. Including significant quantities of lunar regolith simulant in a thermal vacuum chamber poses unique challenges. These include facility operational challenges (dust tolerant hardware) and difficulty maintaining a pre-prepared soil state during pump down (consolidation state, moisture retention).For ISRU purposes, the regolith at the lunar poles will be of most interest due to the elevated water content. To test at polar conditions, the regolith simulant must be doped with water to an appropriate percentage and then chilled to cryogenic temperatures while exposed to vacuum conditions. A 1m tall, 28cm diameter bin of simulant was developed for testing these simulant preparation and drilling operations. The bin itself was wrapped with liquid nitrogen cooling loops (100K) so that the simulant bed reached an average temperature of 140K at vacuum. Post-test sampling was used to determine desiccation of the bed due to vacuum exposure. Depth dependent moisture data is presented from frozen and thawed soil samples.Following simulant only evacuation tests, drill hardware was incorporated into the vacuum chamber to test auguring techniques in the frozen soil at thermal vacuum conditions. The focus of this testing was to produce cuttings piles for a newly developed spectrometer to evaluate. This instrument, which is part of the RESOLVE program science hardware, detects water signatures from surface regolith. The drill performance, behavior of simulant during drilling, and characteristics of the cuttings piles will be offered.

lunar regolith↗

Lunar Polar Environmental Testing: Regolith Simulant Conditioning

As ISRU system development approaches flight fidelity, there is a need to test hardware in relevant environments. Extensive laboratory and field testing have involved relevant soil (lunar regolith simulants), but the current design iterations necessitate relevant pressure and temperature conditions. Including significant quantities of lunar regolith simulant in a thermal vacuum chamber poses unique challenges. These include facility operational challenges (dust tolerant hardware) and difficulty maintaining a pre-prepared soil state during pump down (consolidation state, moisture retention).For ISRU purposes, the regolith at the lunar poles will be of most interest due to the elevated water content. To test at polar conditions, the regolith simulant must be doped with water to an appropriate percentage and then chilled to cryogenic temperatures while exposed to vacuum conditions. A 1m tall, 28cm diameter bin of simulant was developed for testing these simulant preparation and drilling operations. The bin itself was wrapped with liquid nitrogen cooling loops (100K) so that the simulant bed reached an average temperature of 140K at vacuum. Post-test sampling was used to determine desiccation of the bed due to vacuum exposure. Depth dependent moisture data is presented from frozen and thawed soil samples.Following simulant only evacuation tests, drill hardware was incorporated into the vacuum chamber to test auguring techniques in the frozen soil at thermal vacuum conditions. The focus of this testing was to produce cuttings piles for a newly developed spectrometer to evaluate. This instrument, which is part of the RESOLVE program science hardware, detects water signatures from surface regolith. The drill performance, behavior of simulant during drilling, and characteristics of the cuttings piles will be offered.

in situ resource utilization↗