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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Method of Obtaining High Resolution Intrinsic Wire Boom Damping Parameters for Multi-Body Dynamics Simulations

The goal of NASA's Magnetospheric MultiScale (MMS) mission is to understand magnetic reconnection with sensor measurements from four spinning satellites flown in a tight tetrahedron formation. Four of the six electric field sensors on each satellite are located at the end of 60- meter wire booms to increase measurement sensitivity in the spin plane and to minimize motion coupling from perturbations on the main body. A propulsion burn however, might induce boom oscillations that could impact science measurements if oscillations do not damp to values on the order of 0.1 degree in a timely fashion. Large damping time constants could also adversely affect flight dynamics and attitude control performance. In this paper, we will discuss the implementation of a high resolution method for calculating the boom's intrinsic damping, which was used in multi-body dynamics simulations. In summary, experimental data was obtained with a scaled-down boom, which was suspended as a pendulum in vacuum. Optical techniques were designed to accurately measure the natural decay of angular position and subsequently, data processing algorithms resulted in excellent spatial and temporal resolutions. This method was repeated in a parametric study for various lengths, root tensions and vacuum levels. For all data sets, regression models for damping were applied, including: nonlinear viscous, frequency-independent hysteretic, coulomb and some combination of them. Our data analysis and dynamics models have shown that the intrinsic damping for the baseline boom is insufficient, thereby forcing project management to explore mitigation strategies.

Yew, Alvin G.↗
NASA NTRS1994

Relativistic and Correlation Effects in CuH, AgH and AuH: Comparison of Various Relativistic Methods

The effects of relativity on the bond lengths, dissociation energies, and harmonic vibrational frequencies of the 1Epsilon(+) electronic ground states of the group IB hydrides CuH, AgH and AuH have been evaluated with a variety of ab initio methods. These properties were investigated with moderately-sized basis sets at the self-consistent field Hartree Fock (SCF HF) level and with second-order Moller-Plesset (MP2) perturbation theory for electron correlation. Comparisons were made between all-electron results using the nonrelativistic Hamiltonian, perturbation theory (PT) at first-order with only the one-electron non-fine structure terms of the Breit-Pauli Hamiltonian, the spin-free Douglas-Kroll (DK) transformed Dirac Hamiltonian and the untransformed Dirac Hamiltonian, and results using two sets of relativistic effective core potentials (RECPs). The expected trends of bond length decrease, dissociation energy increase and harmonic frequency increase with both relativity and correlation are found. Both sets of RECPs are shown to give good results, if accompanied by a reasonable basis set. The DK method is demonstrated to be an inexpensive, reliable approximation to the DHF method.

Collins, Charlene L.↗
NASA NTRS1994

Accuracy assessment of the large-scale dynamic ocean topography from TOPEX/POSEIDON altimetry

The quality of TOPEX/POSEIDON determinations of the global scale dynamic ocean topography have been assessed by determining mean topography solutions for successive 10-day repeat cycles and by examining the temporal changes in the sea surface topography to identify known features. The assessment is based on the analysis of TOPEX altimeter data cycles 1 through 36. Important errors in the tide model used to correct the altimeter data have been identified. The errors were reduced significantly by use of a new tide model derived with the TOPEX/POSEIDON measurements. Maps of the global 1-year mean topography, produced using four of the most accurate of the marine geoid, show that the largest error in the dynamic ocean topography show expected features, such as the known annual hemispherical sea surface rise and fall and the seasonal variability due to monsoon influence in the Indian Ocean. Changes in the sequence of 10-day topography maps show the development and propagation of an equatorial Kelvin wave in the Pacific beginning in December 1992 with a propagation velocity of approximately 3 m/s. The observations are consistent with observed changes in the equatorial trade winds, and with tide gauge and other in situ observations of the strengthening of the El Nino. Comparison of TOPEX-determine sea surface height at points near oceanic tide gauges shows agreement at the 4 cm root-mean-square (RMS) level over the tropical Pacific. The results show that the TOPEX altimeter data set can be used to map the ocean surface with a temporal resolution of 10 days and an accuracy which is insonsistent with traditional in situ methods for the determination of sea level variations.

Tapley, B. D.↗
DOE OSTI2019

Metallic Low-Level Waste (LLW) Handling Options: An Optimal Life cycle-Based Approach for North American Operations - 19413

Daily activities associated with nuclear power plant operations produce large volumes of low-level contaminated waste. During operation, a small percentage of this low-level waste is metallic (< 1% by volume). However, this figure increases materially when a facility is finally decommissioned, with approximately 1000 m{sup 3} of contaminated metal waste generated for every 1 GW decommissioned (13% by volume). With global nuclear decommissioning efforts expected to increase until 2050, the amount of low-level metallic waste generated is expected to increase the global inventory by over an order of magnitude. The high cost of conventional surface storage and burial of radioactive metal, coupled with the projected increase in low-level metallic waste volumes provides strong incentive to identify cost-effective waste management solutions. Surface decontamination and thermal methods are proven options for decontaminating low-level metallic waste. Surface decontamination processes include chemical, electrochemical, or mechanical methods, which are used to remove contamination from exposed layers of metal. Surface decontamination is most effective when metal has low levels of activity localized on the outer layers. When the activity is more uniformly distributed in the metal (or the geometry is complex), alternative methods such as thermal decontamination are required. In the thermal decontamination process, contaminated scrap metal is melted in a furnace and held in a molten state for a period of time while the radioactive material is separated out through gravity. Radioactive material reports to slag which is handled separately, or to the exhaust which is handled using conventional gas handling technologies. Thermal methods of decontamination involving metal melting present an opportunity to reduce long-term storage cost with a reduction in waste volume, along with the opportunity to reuse the decontaminated metal. Methods for dealing with metallic low-level waste from nuclear facilities vary extensively across the globe. The approach employed at any given site may be set by a host of factors ranging from regulatory influence, public perception, local economics, available geology for underground storage and often, precedent established long ago by early operations. This paper examines several low-level metallic waste handling options including techniques for surface decontamination and metal melting, as well as a combination of both. The various methods are categorized according to their suitability for waste characterization and local/global installations. The effectiveness of each option is benchmarked against a range of criteria, including capital and operating costs, environmental impact, overall sustainability and risk management issues. The overall objective of this paper is to develop a methodology for determining the most beneficial low-level metallic waste management strategy for a facility once the quantity, type and nature of the waste is established on a long-term basis. It is the authors' hope that the methodology can be used as a tool to test a facility's current plans (which are primarily focused on long-term storage) and identify areas for optimization with an emphasis on overall cost and environmental footprint reduction. The trend towards long term planning to handle large amounts of contaminated metal, along with obtaining a social license to implement a sustainable waste management solution, are key decision-making variables that will be discussed in relation to the LLW handling options presented in this paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1998

A Study of Fixed-Order Mixed Norm Designs for a Benchmark Problem in Structural Control

This study investigates the use of H2, p-synthesis, and mixed H2/mu methods to construct full-order controllers and optimized controllers of fixed dimensions. The benchmark problem definition is first extended to include uncertainty within the controller bandwidth in the form of parametric uncertainty representative of uncertainty in the natural frequencies of the design model. The sensitivity of H2 design to unmodelled dynamics and parametric uncertainty is evaluated for a range of controller levels of authority. Next, mu-synthesis methods are applied to design full-order compensators that are robust to both unmodelled dynamics and to parametric uncertainty. Finally, a set of mixed H2/mu compensators are designed which are optimized for a fixed compensator dimension. These mixed norm designs recover the H, design performance levels while providing the same levels of robust stability as the u designs. It is shown that designing with the mixed norm approach permits higher levels of controller authority for which the H, designs are destabilizing. The benchmark problem is that of an active tendon system. The controller designs are all based on the use of acceleration feedback.

Whorton, Mark S.↗
NASA NTRS1992

An approach to constrained aerodynamic design with application to airfoils

An approach was developed for incorporating flow and geometric constraints into the Direct Iterative Surface Curvature (DISC) design method. In this approach, an initial target pressure distribution is developed using a set of control points. The chordwise locations and pressure levels of these points are initially estimated either from empirical relationships and observed characteristics of pressure distributions for a given class of airfoils or by fitting the points to an existing pressure distribution. These values are then automatically adjusted during the design process to satisfy the flow and geometric constraints. The flow constraints currently available are lift, wave drag, pitching moment, pressure gradient, and local pressure levels. The geometric constraint options include maximum thickness, local thickness, leading-edge radius, and a 'glove' constraint involving inner and outer bounding surfaces. This design method was also extended to include the successive constraint release (SCR) approach to constrained minimization.

Campbell, Richard L.↗
DOE OSTI2024

Developing a Control Strategy for Minimum Airflow Setting Considering CO2 Level and Energy Consumption in a Variable Air Volume System

In an office building equipped with a Variable Air Volume (VAV) system, this paper introduces a novel method for controlling the minimum supply airflow fraction in each zone’s VAV box, having a capability to consider indoor CO2 level and energy consumption. The EnergyPlus simulation using the medium office prototype model was employed, which evaluated the performance of the energy and CO2 concentration for five VAV box airflow control strategies. The paper focuses on CO2 concentration-based airflow control method and compares it with other four methods including conventional single-max, reduced minimum single-max, demand-controlled ventilation(DCV), and dualmax control methods according to guidelines and common practices. The newly proposed control strategy directly correlates the minimum airflow fraction to CO2 concentration. A general trend emerged when comparing CO2 concentrations—lower minimum airflow fractions were associated with higher concentrations. The proposed control method effectively maintained low CO2 concentrations and enabled a lower airflow fraction contributing to energy consumption reduction. It was confirmed that heating energy consumption in climate zone 4A, 5B, and 6A showed a maximum saving of approximately 30% compared to the conventional single-max and dual max control strategies. It was found that cooling energy consumption in climate zone 4A and 6A can achieve a maximum saving of approximately 10% compared to the conventional control strategies. The proposed CO2 concentration-based control logic is promising as it not only improves the indoor air quality lowering the CO2 concentration in the occupied spaces, but also contributes to HVAC energy savings.

Lee, Jong Man↗
NASA NTRS2011

Femoral Blood Flow and Cardiac Output During Blood Flow Restricted Leg Press Exercise

Low load blood flow restricted resistance exercise (LBFR) causes muscle hypertrophy that may be stimulated by the local ischemic environment created by the cuff pressure. However, local blood flow (BF) during such exercise is not well understood. PURPOSE: To characterize femoral artery BF and cardiac output (CO) during leg press exercise (LP) performed at a high load (HL) and low load (LL) with different levels of cuff pressure. METHODS: Eleven subjects (men/women 4/7, age 31.4+/-12.8 y, weight 68.9+/-13.2 kg, mean+/-SD) performed 3 sets of supine left LP to fatigue with 90 s of rest in 4 conditions: HL (%1-RM/cuff pressure: 80%/0); LL (20%/0); LBFR(sub DBP) (20%/1.3 x diastolic blood pressure, BP); LBFR(sub SBP) (20%/1.3 x supine systolic BP). The cuff remained inflated throughout the LBFR exercise sessions. Artery diameter, velocity time integral (VTI), and stroke volume (SV) were measured using Doppler ultrasound at rest and immediately after each set of exercise. Heart rate (HR) was monitored using a 3-lead ECG. BF was calculated as VTI x vessel cross-sectional area. CO was calculated as HR x SV. The data obtained after each set of exercise were averaged and used for analyses. Multi-level modeling was used to determine the effect of exercise condition on dependent variables. Statistical significance was set a priori at p< 0.05. RESULTS: Artery diameter did not change from baseline. BF increased (p<0.05) after exercise in each condition except LBFR(sub SBP) in the order of HL (12.73+/-1.42 cm3,mean+/-SE) > LL (9.92+/-0.82 cm3) > LBFR(sub dBP)(6.47+/-0.79 cm3) > LBFR(sub SBP) (3.51+/-0.59 cm3). Blunted exercise induced increases occurred in HR, SV, and CO after LBFR compared to HL and LL. HR increased 45% after HL and LL and 28% after LBFR (p<0.05), but SV increased (p<0.05) only after HL. Consequently, the increase (p<0.05) in CO was greater in HL and LL (approximately 3 L/min) than in LBFR (approximately 1 L/min). CONCLUSION: BF during LBFR(sub SBP) was 1/3 of that observed in LL, which supports the hypothesis that local ischemia stimulates the LBFR hypertrophic response. As the cuff did not compress the artery, the ischemia may have occurred because of the blunted rise in CO or because arterial BP cannot overcome the cuff pressure. As LBFR(sub DBP) effectively reduced BF and CO with cuff pressures less than systolic BP, future studies should investigate the hypertrophic potential of LBFR at even lower cuff pressures.

Everett, M. E.↗
DOE OSTI2020

A fast particle-based approach for calibrating a 3-D model of the Antarctic ice sheet

We consider the scientifically challenging and policy-relevant task of understanding the past and projecting the future dynamics of the Antarctic ice sheet. The Antarctic ice sheet has shown a highly nonlinear threshold response to past climate forcings. Triggering such a threshold response through anthropogenic greenhouse gas emissions would drive drastic and potentially fast sea level rise with important implications for coastal flood risks. Previous studies have combined information from ice sheet models and observations to calibrate model parameters. These studies have broken important new ground but have either adopted simple ice sheet models or have limited the number of parameters to allow for the use of more complex models. These limitations are largely due to the computational challenges posed by calibration as models become more computationally intensive or when the number of parameters increases. Here, we propose a method to alleviate this problem: a fast sequential Monte Carlo method that takes advantage of the massive parallelization afforded by modern high-performance computing systems. We use simulated examples to demonstrate how our sample-based approach provides accurate approximations to the posterior distributions of the calibrated parameters. The drastic reduction in computational times enables us to provide new insights into important scientific questions, for example, the impact of Pliocene era data and prior parameter information on sea level projections. These studies would be computationally prohibitive with other computational approaches for calibration such as Markov chain Monte Carlo or emulation-based methods. We also find considerable differences in the distributions of sea level projections when we account for a larger number of uncertain parameters. For example, based on the same ice sheet model and data set, the 99th percentile of the Antarctic ice sheet contribution to sea level rise in 2300 increases from 6.5 m to 13.1 m when we increase the number of calibrated parameters from three to 11. With previous calibration methods, it would be challenging to go beyond five parameters. Here, this work provides an important next step toward improving the uncertainty quantification of complex, computationally intensive and decision-relevant models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Optimizing Sensor Count and Placement to Detect Bond Wire Lift-Offs and Surface Defects in High-Power IGBT Modules Using Low-Cost Piezo-Electric Resonators

This manuscript presents the most recent results and findings to identify bond wire lift-offs and surface defects in high-power isolated gate bipolar junction transistor (IGBT) modules. The authors of this manuscript formerly proposed a low-cost, piezoelectric resonator-based measurement unit to detect bond wire related degradation in larger IGBT modules. Since high-power IGBT modules are expensive, it was apparent that evaluating our proposed method by inducing controlled damage to fresh (new) IGBTs may not be cost-effective especially when multiple sets of data need to be captured by inducing damage to different levels. In order to overcome this limitation, IGBT bond wires have been mimicked using a 3D printed enclosure, a PCB, and copper wires with dimensions very closely resembling a real IGBT. Using this method, multiple test devices can be built at the cost of a real IGBT, and the proposed technique could be fine-tuned without damaging expensive, real IGBTs. Our recent findings can be used to determine real IGBT degradation and bond wire lift-offs using only two sensors, as opposed to six transducers used in the first iteration of the setup. In addition to optimizing the sensor count, we have also identified the best possible locations of these sensors by attempting multiple placements inside the IGBT casing.

condition monitoring↗
DOE OSTI2024

MFANS 2024 - Formally Proving Characteristics of Cyber-Physical Systems

Cyber-physical systems (CPS) are engineered systems that rely on the smooth integration of computational algorithms and physical elements. This integration presents new challenges for verifying that systems will behave as expected. The goal of this presentation is to present current challenges and potential solutions for the formal verification of cyber-physical systems. For cyber systems, formal methods refer to systematically rigorous mathematical techniques employed in the specification, development, analysis, and verification of both software and hardware systems. Recent advancements in computer science have yielded sophisticated tools specifically designed to address challenges associated with formal methods in complex systems. These tools leverage various foundational concepts such as logic, formal languages, program semantics, type systems, type theory, and automata theory. A notable achievement in the application of formal methods is the seL4 microkernel, claimed to be the first general-purpose operating-system kernel to be verified. Its proof implies the absence of bugs and guarantees that the kernel meets specifications. For physical systems, dynamic and control theory has a history of using rigorous analytic techniques to prove functional correctness. Lyapunov, optimal, classical, modern, and robust control theories all provide rigorous mathematical methods both to analyze system performance and to design controller that can be guaranteed to meet certain objectives. Recent computational techniques like level set theory and reachability analysis provide assertions that a system's state will avoid unsafe regions. Even though success has been independently achieved for cyber systems and physical systems, the integration of such systems creates new challenges. In particular, there is an obvious discrepancy between finite-state machines and infinite-state systems, resulting in different approaches for modeling and analyzing these system. While it is possible to simulate hybrid systems, this provides only a demonstration of a performance and not proof. For hybrid systems, current formal methods and system analysis approaches typically require a workarounds to work on hybrid systems like CPS. This paper will outline the state of the art and limits of current practice for formally verifying CPS and will identify possible research directions that require attention.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Validating a large geophysical data set: Experiences with satellite-derived cloud parameters

We are validating the global cloud parameters derived from the satellite-borne HIRS2 and MSU atmospheric sounding instrument measurements, and are using the analysis of these data as one prototype for studying large geophysical data sets in general. The HIRS2/MSU data set contains a total of 40 physical parameters, filling 25 MB/day; raw HIRS2/MSU data are available for a period exceeding 10 years. Validation involves developing a quantitative sense for the physical meaning of the derived parameters over the range of environmental conditions sampled. This is accomplished by comparing the spatial and temporal distributions of the derived quantities with similar measurements made using other techniques, and with model results. The data handling needed for this work is possible only with the help of a suite of interactive graphical and numerical analysis tools. Level 3 (gridded) data is the common form in which large data sets of this type are distributed for scientific analysis. We find that Level 3 data is inadequate for the data comparisons required for validation. Level 2 data (individual measurements in geophysical units) is needed. A sampling problem arises when individual measurements, which are not uniformly distributed in space or time, are used for the comparisons. Standard 'interpolation' methods involve fitting the measurements for each data set to surfaces, which are then compared. We are experimenting with formal criteria for selecting geographical regions, based upon the spatial frequency and variability of measurements, that allow us to quantify the uncertainty due to sampling. As part of this project, we are also dealing with ways to keep track of constraints placed on the output by assumptions made in the computer code. The need to work with Level 2 data introduces a number of other data handling issues, such as accessing data files across machine types, meeting large data storage requirements, accessing other validated data sets, processing speed and throughput for interactive graphical work, and problems relating to graphical interfaces.

Kahn, Ralph↗
DOE OSTI2022

Radiocarbon analysis as a method for verifying atmospheric CO 2 uptake during carbon mineralization

Sequestration of atmospheric CO 2 is required to constrain the warming of Earth’s climate. Carbon mineralization refers to the precipitation of carbonate minerals by reaction of CO 2 and Mg- and Ca-rich rocks; if the source of the CO 2 is atmospheric and the precipitated carbonate is protected from subsequent dissolution, this process at sufficient scale may be able to reliably draw down atmospheric greenhouse gas levels. Such reactions occur passively in ultramafic settings and previous work has demonstrated that they actively draw down local CO 2 (g) concentrations. However, a method for unambiguously attributing the sequestered carbon solid product to atmospheric sources is still lacking. Here, we test if radiocarbon can be used to verify that the carbon being incorporated into carbonate minerals during carbon mineralization is atmospheric in origin. Additionally, samples from recently exposed ultramafic sites are analyzed and the results demonstrate the utility of this technique for verifying true atmospheric carbon reduction.

58 GEOSCIENCES↗
DOE OSTI2022

Using Direct Numerical Simulation of Pore-Level Events to Improve Pore-Network Models for Prediction of Residual Trapping of CO2

Direct numerical simulation and pore-network modeling are common approaches to study the physics of two-phase flow through natural rocks. For assessment of the long-term performance of geological sequestration of CO 2 , it is important to model the full drainage-imbibition cycle to provide an accurate estimate of the trapped CO 2 . While direct numerical simulation using pore geometry from micro-CT rock images accurately models two-phase flow physics, it is computationally prohibitive for large rock volumes. On the other hand, pore-network modeling on networks extracted from micro-CT rock images is computationally efficient but utilizes simplified physics in idealized geometric pore elements. This study uses the lattice-Boltzmann method for direct numerical simulation of CO 2 -brine flow in idealized pore elements to develop a new set of pore-level flow models for the pore-body filling and snap-off events in pore-network modeling of imbibition. Lattice-Boltzmann simulations are conducted on typical idealized pore-network configurations, and the interface evolution and local capillary pressure are evaluated to develop modified equations of local threshold capillary pressure of pore elements as a function of shape factor and other geometrical parameters. The modified equations are then incorporated into a quasi-static pore-network flow solver. The modified model is applied on extracted pore-network of sandstone samples, and saturation of residual trapped CO 2 is computed for a drainage-imbibition cycle. The modified model yields different statistics of pore-level events compared with the original model; in particular, the occurrence of snap-off in pore-throats is reduced resulting in a more frontal displacement pattern along the main injection direction. Compared to the original model, the modified model is in closer agreement with the residual trapped CO 2 obtained from core flow experiments and direct numerical simulation.

Kohanpur, Amir H.↗
DOE OSTI2022

IMPROVING THE ACCURACY OF COMPOSITE METHODS: A G4MP2 METHOD WITH G4-LIKE ACCURACY AND IMPLICATIONS FOR MACHINE LEARNING

G4MP2 theory has proven to be a reliable and accurate quantum chemical composite method for the calculation of molecular energies using an approximation based on second-order perturbation theory to lower computational costs compared to G4 theory. However, it has been found to have significantly increased errors when applied to larger organic molecules with 10 or more nonhydrogen atoms. We report here on an investigation of the cause of the failure of G4MP2 theory for such larger molecules. One source of error is found to be the "higher-level correction (HLC)", which is meant to correct for deficiencies in correlation contributions to the calculated energies. This is because the HLC assumes that the contribution is independent of the element and the type of bonding involved, both of which become more important with larger molecules. We address this problem by adding an atom-specific correction, dependent on atom type but not bond type, to the higher-level correction. We find that a G4MP2 method that incorporates this modification of the higher-level correction, referred to as G4MP2A, becomes as accurate as G4 theory (for computing enthalpies of formation) for a test set of molecules with less than 10 nonhydrogen atoms as well as a set with 10-14 such atoms, the set of molecules considered here, with a much lower computational cost. The G4MP2A method is also found to significantly improve ionization potentials and electron affinities. Finally, we implemented the G4MP2A energies in a machine learning method to predict molecular energies.

Dandu, Naveen↗
DOE OSTI2023

WeakIdent: Weak formulation for identifying differential equation using narrow-fit and trimming

Data-driven identification of differential equations is an interesting but challenging problem, especially when the given data are corrupted by noise. When the governing differential equation is a linear combination of various differential terms, the identification problem can be formulated as solving a linear system, with the feature matrix consisting of linear and nonlinear terms multiplied by a coefficient vector. This product is equal to the time derivative term, and thus generates dynamical behaviors. The goal is to identify the correct terms that form the equation to capture the dynamics of the given data. We propose a general and robust framework to recover differential equations using a weak formulation with two new mechanisms, narrow-fit and trimming, for both ordinary and partial differential equations (ODEs and PDEs). The weak formulation facilitates an efficient and robust way to handle noise, and two new mechanisms, narrow-fit and trimming, improve the coefficient support and value recoveries respectively. For each sparsity level, Subspace Pursuit is utilized to find an initial set of support from the large dictionary. Then, we focus on highly dynamic regions (rows of the feature matrix), and error normalize the feature matrix in the narrow-fit step. The support is further updated via trimming the terms that contribute the least. Finally, the support set of features with the smallest Cross-Validation error is chosen as the result. A comprehensive set of numerical experiments are presented for both systems of ODEs and PDEs with various noise levels. The proposed method gives a robust recovery of the coefficients, and a significant denoising effect which can handle up to 100% noise-to-signal ratio for some equations. We compare the proposed method with several state-of-the-art algorithms for the recovery of differential equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Hardware-Conscious Optimization of the Quantum Toffoli Gate

While quantum computing holds great potential in combinatorial optimization, electronic structure calculation, and number theory, the current era of quantum computing is limited by noisy hardware. Many quantum compilation approaches can mitigate the effects of imperfect hardware by optimizing quantum circuits for objectives such as critical path length. Few approaches consider quantum circuits in terms of the set of vendor-calibrated operations (i.e., native gates) available on target hardware. This manuscript expands the analytical and numerical approaches for optimizing quantum circuits at this abstraction level. We present a procedure for combining the strengths of analytical native gate-level optimization with numerical optimization. Although we focus on optimizing Toffoli gates on the IBMQ native gate set, the methods presented are generalizable to any gate and superconducting qubit architecture. Our optimized Toffoli gate implementation demonstrates an 18% reduction in infidelity compared with the canonical implementation as benchmarked on IBM Jakarta with quantum process tomography. Assuming the inclusion of multi-qubit cross-resonance (MCR) gates in the IBMQ native gate set, we produce Toffoli implementations with only six multi-qubit gates, a 25% reduction from the canonical eight multi-qubit implementations for linearly connected qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1997

Determination of Residual Stress in Composite Materials Using Ultrasonic Waves

The performance of high temperature composites can be significantly affected by the presence of residual stresses. These stresses arise during cooling processes from fabrication to room temperature due to mismatch of thermal expansion coefficients between matrix and fiber materials. This effect is especially pronounced in metal matrix and intermetallic composites. It can lead to plastic deformations, matrix cracking and fiber/matrix interface debonding. In this work the feasibility of ultrasonic techniques for residual stress assessment in composites is addressed. A novel technique for absolute stress determination in orthotropic materials from angular dependencies of ultrasonic velocities is described. The technique is applicable for determination of both applied and residual stresses and does not require calibration measurements on a reference sample. The important advantage of this method is that stress is determined simultaneously with stress-dependent elastic constants and is thus decoupled from the material texture. It is demonstrated that when the principal plane stress directions coincide with acoustical axes, the angular velocity data in the plane perpendicular to the stress plane may be used to determine both stress components. When the stress is off the acoustical axes, the shear and the difference of the normal stress components may be determined from the angular dependence of group velocities in the plane of stresses. Synthetic sets of experimental data corresponding to materials with different anisotropy and stress levels are used to check the applicability of the technique. The method is also verified experimentally. A high precision ultrasonic wave transmission technique is developed to measure angular dependence of ultrasonic velocities. Examples of stress determination from experimental velocity data are given. A method is presented for determination of velocities of ultrasonic waves propagating through the composite material with residual stresses. It is based on the generalized self-consistent multiple scattering model. Calculation results for longitudinal and shear ultrasonic wave velocities propagating perpendicular to the fibers direction in SCS-6/Ti composite with and without residual stresses are presented. They show that velocity changes due to presence of stresses are of order 1%.

Rokhlin, S. I.↗