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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Failure Analysis for Molten Salt Thermal Energy Storage Tanks for In-Service CSP Plants

Thermal Energy Storage (TES) is a fundamental component in concentrating solar power (CSP) plants to increase the plant's dispatchability, capacity factor, while reducing the levelized cost of electricity. In central receivers CSP plants, nitrate molten salts have been used for several years for operation temperatures of up to 565 degrees C. Despite many efforts to advance nitrate salt to higher operation temperatures (even considering a replacement with molten chloride salts) to achieve higher energy conversion efficiencies, the 565 degrees C temperature is currently considered the state-of-the art. Although molten salt tanks have been broadly deployed in commercial CSP plants worldwide, several failures have been reported in these tanks after a few months or years of operation, causing significant economic loss and mistrust in CSP technologies. Most of these failures are associated with the infancy of the technology and multiple issues related to tank design, fabrication, commissioning, and aggressive operation. A technical standard dedicated to the design and fabrication of molten nitrate TES tanks does not exist today. Current in-service molten salt tanks have been generally designed based on the American Petroleum Institute's (API) 650 and ASME Section II standards. The API 650 code provides guidelines for dimensions and fabrication for oil storage tanks up to 260 degrees C. The ASME standard provides allowable stress values for various materials at a range of temperatures and conditions. Both standards seem to be limited for molten salt TES tanks where high temperatures, thermal cycling, and transient conditions are expected. In 2020, NREL released the Concentrating Solar Power Best Practices Study (NREL/TP-5500-75763) that summarized multiple issues in CSP plants, along with potential alternatives and recommendations to address those issues based on information collected from participants representing about 80% of operating CSP plants in the world. One of the recommendations from this study was the development of accurate and validated models to evaluate the plant's transient operation, capable of capturing the effect of short-term clouds and operator response, while being flexible in being adapted to various spatial and temporal resource data. The "Failure Analysis for Molten Salt Thermal Energy Tanks for In-Service CSP Plants" project was inspired on this recommendation and was focused on (1) the development and validation of a physics-based model for a representative, commercial-scale molten salt tank, (2) performing simulations to evaluate the behavior of the tank as a function of typical plant operation conditions, (3) understanding tank failures mechanisms, (4) determining the residual stress and distortion in the tank floor after welding fabrication and evaluating their impact in the stresses developed in the tank during operation, (5) assessing the impact of key operation parameters on the temperature and stress distribution, (6) conduct a preliminary evaluation of design features to reduce stress and improve tank's reliability, and (7) estimate the tank's service life based on the stress developed under diverse operation scenarios. From the analysis conducted in the project and presented in this report, it was found that maximum stresses surpassing the yield strength point of the stainless steel (SS) 347H are developed on the tank floor near the perimeter. These large stresses are strongly influenced by the initial residual stresses and distortion of the tank floor after welding fabrication. During operation, large stresses are developed in the tank floor at high operation temperatures with large salt inventory levels during transient operation. High stresses are also related to elevated temperature gradients in the tank floor that could be attributed to insufficient mixing within the salt inflow and the salt inventory. Based on the analysis, creep is the predominant failure mechanism. However, the large stress levels could favor the plastic deformation into buckles, and crack formation due to stress relaxation cracking during cycle operation. A lifetime below 3 years was estimated for the typical plant operation conditions and a specific initial residual stress and deformation distribution of the tank floor. The estimated life agrees with the service time to failure reported in several commercial molten salt tanks. Desing and operation guidelines can be extracted from the analysis presented in this report, which could be adopted by tank manufacturers and CSP operators to advance toward an ultimate solution for tank failures by reducing residual and operational stresses to achieve a tank service life of more than 30 years. Addressing failures in molten salt TES tanks is fundamental for the CSP industry's survivability, but it is also important for other industrial and power generation applications using this technology, including nuclear and concentrating solar thermal.

14 SOLAR ENERGY↗
DOE OSTI2020

Device-Level Multidimensional Thermal Dynamics With Implications for Current and Future Wide Bandgap Electronics

Researchers have been extensively studying wide-bandgap (WBG) semiconductor materials such as gallium nitride (GaN) with an aim to accomplish an improvement in size, weight, and power of power electronics beyond current devices based on silicon (Si). However, the increased operating power densities and reduced areal footprints of WBG device technologies result in significant levels of self-heating that can ultimately restrict device operation through performance degradation, reliability issues, and failure. Typically, self-heating in WBG devices is studied using a single measurement technique while operating the device under steady-state direct current measurement conditions. However, for switching applications, this steady-state thermal characterization may lose significance since the high power dissipation occurs during fast transient switching events. Therefore, it can be useful to probe the WBG devices under transient measurement conditions in order to better understand the thermal dynamics of these systems in practical applications. In this work, the transient thermal dynamics of an AlGaN/GaN high electron mobility transistor (HEMT) were studied using thermoreflectance thermal imaging and Raman thermometry. Also, the proper use of iterative pulsed measurement schemes such as thermoreflectance thermal imaging to determine the steady-state operating temperature of devices is discussed. These studies are followed with subsequent transient thermal characterization to accurately probe the self-heating from steady-state down to submicrosecond pulse conditions using both thermoreflectance thermal imaging and Raman thermometry with temporal resolutions down to 15 ns.

42 ENGINEERING↗
DOE OSTI2023

An Innovative Insight into Performance Degradation of NCM111 Cathode Induced by Suspension of Operation

The lifespan of lithium-ion batteries varies enormously from fundamental study to practical applications. This big difference has been typically ascribed to the high degree of uncertainty in unpredictable and complicated operation conditions in real-life applications. Here, in this paper, we report that the pause of the charging–discharging process, which is frequently operated in practice but rarely studied in academics, is an important reason for the performance degradation of the NCM111 cathode. It is found that the pause during cycling could trigger a remarkable drop in capacity, giving rise to ~30% more capacity decay compared with the continuously cycled sample. In situ synchrotron X-ray diffraction analysis reveals that the harmful H1–H2 phase transition, which typically appears in the initial cycle but disappears in subsequent cycles, is reactivated by the pausing process. The anisotropic lattice strains that occur during the H1–H2 transition result in mechanical fractures that terminate with an inert NiO-type rock-salt phase on the surface of particles. The present study indicates that the discontinuous usage of rechargeable batteries is also a key factor for cycle life, which might provide a distinct perspective on the performance decay in practical applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Stirred-Reactor Coupon Analysis: An International Round Robin Study

The objective of this task was to determine the precision of the SRCA technique when used to determine the dilute condition corrosion rate. To this end, an interlaboratory round robin study was conducted per the instructions in ASTM Practice E691 to measure the precision with which the SRCA test method can be conducted. Twelve independent labs from eleven different institutions each evaluated four glass compositions in three different conditions. The ASTM procedures recommend at least 6 labs participate in a round robin testing the same 3 materials in the same conditions to determine precision. In this case, 12 labs each performed 12 independent tests. This was only possible thanks to the multi-glass testing capability of the SRCA test. A total of 108 duplicate pairs were used to calculate the repeatability of the tests, with the same glass tested in the same vessel, producing as identical conditions as possible for the replicates. These test results were quite tightly clustered, with a median difference from the average value of the pair of only 2.9%. Based on the calculations outlined in ASTM E177-20 and a measured standard deviation of 4.74%, the intralaboratory repeatability limit (r) was calculated to be within 13.3% of the expected value with 95% confidence level. The reproducibility limit (R) of the test was examined using all 277 data points from the round robin. Because of the differences in dissolution rates due to pH variability and intrinsically for the 12 conditions tested, the reproducibility limits for each condition and overall were calculated from the percent relative residual value for each test. The SRCA test is expected to be reproducible within 64% of the expected value with a 95% confidence level.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Rigor and Reproducibility in Electrocatalysis: Best Practices for Operando Studies

Operando measurements have rapidly expanded the scope of electrocatalysis by enabling direct observation of catalytic interfaces under working conditions and by linking structural, compositional, and spectroscopic observables to activity and selectivity. However, the growth of operando methods has outpaced the adoption of broadly shared experimental standards, creating persistent challenges in reproducibility, interpretation, and comparison across laboratories and platforms. This perspective synthesizes discussions from the 2025 National Science Foundation Workshop on Rigor and Reproducibility in Electrocatalysis and outlines a practical framework for the rigorous use of operando measurements in electrocatalysis. We highlight three recurring needs: careful implementation of complex methods to avoid overinterpretation; recognition that (subtle) differences in reactor architecture, hydrodynamics, and electrical boundary conditions can alter apparent kinetics and selectivity; and transparent reporting standards that enable meaningful cross-comparison without constraining measurement-specific cell innovation. Focusing on widely used techniques (including X-ray and vibrational spectroscopies, mass spectrometry, and electron microscopy), we discuss technique-specific pitfalls, cross-validation strategies, and recurring platform-agnostic considerations such as mass transport, current distribution, temporal-resolution mismatches, and catalyst evolution. This Perspective aims to strengthen the mechanistic inference and improve the reproducibility, comparability, and predictive value of operando electrocatalysis research.

X-ray absorption spectroscopy↗
DOE OSTI2025

Unveiling the support effect in Pt-based catalysts for the selective catalytic oxidation of NH 3 under realistic diesel engine conditions

Pt catalysts have been widely used for the selective catalytic oxidation of NH 3 (NH 3 -SCO) in practical applications due to their high activity at low temperatures. However, more stringent regulations require further enhancement of low-temperature NH 3 -SCO activity. In this study, we investigated the influence of different supports, including aluminum oxide (Al 2 O 3 ), silica (SiO 2 ), and chabazite (CHA), on the NH 3 -SCO performance of Pt catalysts. Furthermore, our findings demonstrate that the Pt/CHA catalyst exhibited superior NH 3 -SCO performance under realistic diesel engine conditions, characterized by high space velocity and the presence of water vapor. Notably, the Pt/CHA catalyst achieved a significantly lower T 50 (temperature at which 50% NH 3 conversion is achieved) of 218 °C under conditions with both CO 2 and H 2 O, with a 56 °C reduction compared to the state-of-the-art Pt/Al 2 O 3 catalyst. The exceptional NH 3 -SCO performance is attributed to the high abundance of metallic Pt 0 species and the presence of rich and stable acid sites that facilitate NH 3 adsorption and activation. Furthermore, these results highlight CHA as a promising support for the Pt catalyst in NH 3 -SCO applications for diesel engine emission control.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Numerical and experimental analysis of precooled desiccant system

This paper presents a numerical and experimental study of four novel, desiccant air-conditioning systems based on pre-cooling of the ambient air. The purpose of the study is to: 1) establish which configuration is most profitable for the future studies through numerical and experimental methods; 2) verify the concept of precooled system and confirm that it is working in experimental conditions (for this purpose two prototypes of evaporative cooling units were developed and compared for different operation arrangements with desiccant wheel); 3) Analyze practical aspects of the systems, which includes water consumption analysis, economic analysis and establishing operational modes during a cooling season in temperate climate conditions (the proposed solution has a significant advantage during operation in a temperate climate, since it can utilize its first evaporative cooler the only source of cooling energy when the humidity of outdoor air allows to to meet the latent cooling load). Four arrangements of the system with different dew point evaporative air cooler prototypes were selected and developed for comparative analysis. The system was simulated as a whole, also, each component was individually tested on measurement station. develop the optimal arrangement of the system through numerical and experimental analysis. Four different performance indicators were considered: thermal COP (Coefficient Of Performance), the ERR (Energy Efficiency Ratio), coefficient a describing the potential in compensating indoor cooling loads, water consumption ratio. Also costs of the systems were compared through economic analysis. It was established that arrangement which is characterized by best-averaged performance in terms of all considered factors is a unit combined with two different types of evaporative coolers (marked as System B)- this is caused by the favorable arrangement of two units, where one is better suited to the pre-cooler role, while the other is better suited as the post-cooler.

42 ENGINEERING↗
DOE OSTI2024

Advancing Li-plating detection: Motivating a multi-signal correlation approach

Facilitating fast charging in lithium-ion batteries (LiBs) is often linked to Li-plating, which harms performance, longevity, and safety. Early detection of Li-plating is essential for rapid technological development and for preventing performance deterioration and ensuring safety during operation. Fast and real-time detection, using commonly collected measurements like voltage (V), current (I), temperature (T), and pressure (P), is highly desirable. Existing standalone methods relying on electrochemical and mechanical signatures, using half, smaller, or specially designed cells often operated at lower temperatures, fail to account for real-world fast-charging conditions. These signatures may also have inherent unreliability in aged LiBs, a phenomenon currently not-well understood. All these uncertainties have complicated practical implementation of a robust Li-plating detection technique. This study, through multiple case studies involving real-world fast-charging conditions using automotive-grade 11.6 Ah LiBs, shows that many single signal-based diagnostic techniques may be inadequate to detect Li-plating. Among various signatures, end-of-charge rest pressure, differential pressure-sensing, and end-of-charge rest voltage were identified as particularly useful in detecting Li-plating. Furthermore, A multi-signal-based detection technique is shown to be more robust in detecting Li-plating. Using both fresh and aged cells, the results and analysis highlight how detection capabilities are influenced by various factors, including battery design, size, charging speed, operating temperature, and degradation level. Adopting such a multi-signal Li-plating detection approach may be instrumental in the rapid development of battery technology in laboratories, as well as ensuring the enhanced safety of next-generation LiBs in real-world fast-charging applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Toward practical issues: Identification and mitigation of the impurity effect in glyme solvents on the reversibility of Mg plating/stripping in Mg batteries

Reversible electrochemical magnesium plating/stripping processes are important for the development of high-energy-density Mg batteries based on Mg anodes. Ether glyme solutions such as monoglyme (G1), diglyme (G2), and triglyme (G3) with the MgTFSI 2 salt are one of the conventional and commonly used electrolytes that can obtain the reversible behavior of Mg electrodes. However, the electrolyte cathodic efficiency is argued to be limited due to the enormous parasitic reductive decomposition and passivation, which is governed by impurities. In this work, a systematic identification of the impurities in these systems and their effect on the Mg deposition–dissolution processes is reported. The mitigation methods generally used for eliminating impurities are evaluated, and their beneficial effects on the improved reactivity are also discussed. By comparing the performances, we proposed a necessary conditioning protocol that can be easy to handle and much safer toward the practical application of MgTFSI 2 /glyme electrolytes containing impurities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Consistency and reproducibility in atomic layer deposition

Atomic layer deposition (ALD) is a thin film synthesis technique that can provide exquisite accuracy and precision in film thickness and composition even on complex, large area substrates. Based on self-limiting surface chemistry, ALD can be insensitive to process conditions and reactor designs, allowing an ALD process developed in one lab to be easily reproduced in other labs. In practice, however, ALD is sometimes difficult to reproduce or replicate, and the results can vary substantially between ALD reactors and between labs. This is exemplified by large deviations in reports on the growth of, e.g., Al2O3, FeOx, and TiO2 given the same precursors under similar conditions. Furthermore, the problem of irreproducibility seems to be growing as ALD is adopted by more researchers and integrated into new applications. In this article, the authors highlight some of the major sources of variations and errors and common misconceptions related to ALD. In particular, the authors focus on issues related to precursors, substrates, and deposition tools. The authors illustrate these problems through examples from the literature, and they present results from numerical simulations that describe how nonidealities would manifest in thickness profiles in a typical cross-flow reactor. They also describe how reproducibility in ALD is linked to consistent experimental practice and reporting between labs. The authors’ hope is that by educating newcomers to ALD and advocating for consistent reporting of deposition conditions, they can minimize irreproducibility and enable ALD practitioners to realize the full potential afforded by self-limiting surface chemistry.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Condition monitoring of permanent magnet AC machines for all-electric transportation systems: State of the art

The current state of the art on emerging and efficient techniques for condition monitoring of permanent magnet (PM) alternating-current (AC) machines deployed in electric vehicle (EV) applications is presented. The discussion includes the most common and specific types of faults in PM motors, such as rotor demagnetisation and stator inter-turn faults, respectively. Fault indicators, such as voltage (v s ) and current (i s ) signals and machine signatures based on motor back electromotive force (EMF) (E B ) and magnetic flux (φ), are taken into account as a measuring quantity in diagnosing motor faults. Other signatures, including thermal analysis, acoustic noise, and vibrations, are also illustrated as some of the emerging techniques in estimating the performance of EV motors while under operations. In addition, various fault modelling methods, condition monitoring techniques, and comprehensive approaches applied in diagnosing the effect of machine faults during its incipient stages are illustrated. Since most of the fault diagnostic techniques discussed here include only machine-based quantities as fault indices/indicators, the provided solutions are therefore found to be more reliable and accurate for diagnosing the motor faults. This comprehensive review study is inclusive of the existing fault diagnostic techniques, which are currently employed in industrial and commercial practices, in addition to the new methodologies proposed by the authors. All the given condition monitoring schemes therefore seem significantly vital in estimating the state of health of PM AC machines while under operation in all-electric transportation systems.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Extremum seeking for optimal control problems with unknown time-varying systems and unknown objective functions

We consider the problem of optimal feedback control of an unknown, noisy, time-varying, dynamic system that is initialized repeatedly. Examples include a robotic manipulator which must perform the same motion, such as assisting a human, repeatedly and accelerating cavities in particle accelerators which are turned on for a fraction of a second with given initial conditions and vary slowly due to temperature fluctuations. In this paper, we present an approach that applies to systems of practical interest. The method presented here is model independent; does not require knowledge of the objective function; is robust to measurement noise; is applicable for any set of initial conditions; is applicable to simultaneously controlling an arbitrary number of parameters; and may be implemented with a broad range of continuous or discontinuous functions such as sine or square waves. For systems with convex cost functions we prove that our algorithm will produce controllers that approach the minimal cost. For linear systems we reproduce the cost minimizing linear quadratic regulator optimal controller that could have been designed analytically had the system and cost function been known. We demonstrate the effectiveness of the algorithm with simulation studies of noisy and time-varying systems.

42 ENGINEERING↗
DOE OSTI2022

Leaf water potential measurements using the pressure chamber: Synthetic testing of assumptions towards best practices for precision and accuracy

Leaf water potential (ψ leaf ), typically measured using the pressure chamber, is the most important metric of plant water status, providing high theoretical value and information content for multiple applications in quantifying critical physiological processes including drought responses. Pressure chamber measurements of ψ leaf (ψ leafPC ) are most typical, yet, the practical complexity of the technique and of the underlying theory has led to ambiguous understanding of the conditions to optimize measurements. Consequently, specific techniques and precautions diversified across the global research community, raising questions of reliability and repeatability. Here, we surveyed specific methods of ψ leafPC from multiple laboratories, and synthesized experiments testing common assumptions and practices in ψ leafPC for diverse species: (i) the need for equilibration of previously transpiring leaves; (ii) leaf storage before measurement; (iii) the equilibration of ψ leaf for leaves on bagged branches of a range of dehydration; (iv) the equilibration of ψ leaf across the lamina for bagged leaves, and the accuracy of measuring leaves with artificially ‘elongated petioles’; (v) the need in ψ leaf measurements for bagging leaves and high humidity within the chamber; (vi) the need to avoid liquid water on leaf surfaces; (vii) the use of ‘pulse’ pressurization versus gradual pressurization; and (viii) variation among experimenters in ψ leafPC determination. Based on our findings we provide a best practice protocol to maximise accuracy, and provide recommendations for ongoing species-specific tests of important assumptions in future studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Modelling the Effects of Wetland Restoration on Coastal Hydrology: A Case Study of Elkhorn Slough Watershed, California

ABSTRACT Coastal wetlands, some of the most productive ecosystems on Earth, provide critical ecosystem services, including support of biodiversity, carbon sequestration and flood protection. In recent decades, these ecosystems have experienced extensive coastal wetland loss. Coastal wetland restoration provides a beacon of hope, offering a chance to reclaim these important habitats. However, even with billions of dollars invested worldwide in restoring coastal wetlands, we still lack comprehensive knowledge about the effectiveness of these restoration efforts in recovering wetland ecosystem functions and how future climate change may affect these efforts. The ability to evaluate how these ecosystems will function in the future is vital for examining current investments and developing future protection and management plans. We selected Elkhorn Slough, a tidal estuary, in California, to investigate the impact of wetland restoration and sea level rise (SLR) on coastal hydrology using the process‐based coastal hydrologic model, Advanced Terrestrial Simulator (ATS), informed by site‐specific data. We designed a novel modelling workflow for incorporating wetland restoration features into land cover and soil properties for the model parameterization. The validation results demonstrate a strong agreement between modelled and observed data. We studied the characteristics of coastal watershed hydrology, then focused on the surface water dynamics at two wetland sites within Elkhorn Slough, a reference site and a restored site. Our simulation results indicate that the restored site successfully maintains surface elevation, resulting in reduced surface inundation. We also examined the impact of wetland restoration under expected SLR over the next few decades. The low‐lying Yampah Marsh, the reference site, is likely to be inundated due to future SLR when highest tides arrive, while a higher percentage of Hester Marsh, the restored site, would retain marsh vegetation in coming decades, regardless of tidal conditions. Our study provides important information for examining the outcome of restoration practices that include surface elevation in tidal wetlands under climate changes.

advanced terrestrial simulator↗
DOE OSTI2024

Dynamic data-driven multiscale modeling for predicting the degradation of a 316L stainless steel nuclear cladding material

Here, we have developed a long short-term memory stacked ensemble (LSTM-SE) surrogate modeling approach that can provide rapid predictions of microstructural evolution and the resultant mechanical properties of American Iron and Steel Institute (AISI) 316L series stainless steel (316LSS) fuel cladding under conditions of varying temperature and radiation dose rate. To acquire training data, we developed and implemented a kinetic Monte Carlo (KMC) model to simulate precipitation kinetics of M 23 C 6 , γ', and G phases within SS316L cladding. Experimentally reported precipitation kinetics of SS316L in literature were linked to the kinetic parameters of the simulated precipitation in our KMC model. The model was then used to simulate microstructure evolution under synthetically generated treatments of varying temperature and radiation dose rate, for periods of up to 3000 hours. Changes in volume fraction, number density, and particle size of precipitates were recorded, and particle area fractions were correlated using statistical methods to develop the surrogate model. Simultaneously, the mechanical properties of the simulated microstructures were evaluated using microstructure-based finite element method (FEM) analysis to determine the elastic modulus, yield stress, ultimate tensile strength, and elongation to failure of the aged microstructures. Using this approach, our surrogate model can predict precipitation behavior within 0.25% volume fraction and mechanical properties within 6% relative error from the values predicted by the KMC and FEM models using 50 training simulations as input. The trained recurrent neural network-based model can return estimations of precipitation kinetics and mechanical properties ~1000 times faster than the physics-based codes. This work demonstrates, as a proof of concept, that reactor material service lifetimes under variable service conditions can be predicted for a statistics-based model from a practicably obtainable dataset.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Hydrodynamic modeling of plasma channel systems for laser plasma accelerators

Structured plasma channels are an essential technology for driving high-gradient, plasma-based acceleration and control of electron and positron beams for advanced concepts accelerators. Laser and gas technologies can permit the generation of long plasma columns known as hydrodynamic, optically-field-ionized (HOFI) channels, which feature low on-axis densities and steep walls. By carefully selecting the background gas and laser properties, one can generate narrow, tunable plasma channels for guiding high intensity laser pulses. Here, we present on the development of simulations of HOFI channels using the FLASH code, a publicly available radiation hydrodynamics code. We explore sensitivities of the channel evolution to laser profile, intensity, and background gas conditions, and identify relevant scalings with laser intensity through a range of practical channel delays.

Accelerators↗
DOE OSTI2025

Micro-structural features and material properties impact on adhesive metal joints via computational modeling and machine learning

The quality of structural bonding in practical applications depends on various factors arising from materials, pre-processing conditions, and manufacturing. Understanding how these factors influence bonding performance and determining their relative importance are of significant interest. Thus, this study evaluates the effects of microstructural features and material properties on the structural strength of adhesively-bonded metal joints at the submillimeter scale, utilizing a combination of Finite Element Modeling (FEM) and Machine Learning (ML) with Gradient Boosting Regression (GBR). The microstructural features include adhesive thickness, internal voids within the adhesive, adherend-adhesive interfacial voids, void size and volume fraction, and surface roughness. The material properties include the constitutive behavior of the adhesive, as well as the adherend-adhesive interfacial strength and fracture energy. The changes in structural strength and morphologies of the bonded metal structures with respect to different microstructural features and material properties were clarified by FEM. By further leveraging ML-GBR, the sequence of importance of these factors affecting bonding performance across various scenarios was summarized. This work provides valuable insights into the development of improved structural bonding for adhesive joints in industries such as automotive , aerospace, and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Generalized Quantum Signal Processing

Quantum signal processing (QSP) and quantum singular value transformation (QSVT) currently stand as the most efficient techniques for implementing functions of block-encoded matrices, a central task that lies at the heart of most prominent quantum algorithms. However, current QSP approaches face several challenges, such as the restrictions imposed on the family of achievable polynomials and the difficulty of calculating the required phase angles for specific transformations. In this paper, we present a generalized quantum signal processing (GQSP) approach, employing general SU(2) rotations as our signal-processing operators, rather than relying solely on rotations in a single basis. Our approach lifts all practical restrictions on the family of achievable transformations, with the sole remaining condition being that | P | ≤ 1 , a restriction necessary due to the unitary nature of quantum computation. Furthermore, GQSP provides a straightforward recursive formula for determining the rotation angles needed to construct the polynomials in cases where P and Q are known. In cases where only P is known, we provide an efficient optimization algorithm capable of identifying in under a minute of GPU time, a corresponding Q for polynomials of degree on the order of 10 7 . We further illustrate GQSP simplifies QSP-based strategies for Hamiltonian simulation, offer an optimal solution to the ϵ -approximate fractional query problem that requires O ( ( 1 / δ ) + log ( 1 / ϵ ) ) queries to perform where O ( 1 / δ ) is a proved lower bound, and introduces novel approaches for implementing bosonic operators. Moreover, we propose a novel framework for the implementation of normal matrices, demonstrating its applicability through synthesis of diagonal matrices, as well as the development of a new algorithm for convolution through synthesis of circulant matrices using only O ( d log N + log 2 N ) 1 and 2-qubit gates for a filter of lengths d . Published by the American Physical Society 2024

Motlagh, Danial↗