Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “reliability study”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Computational Optimization of Room Temperature Usable Capacity for Hydrogen Storage in MFU-4-Type Metal–Organic Frameworks via Pairwise Metal Substitutions

The efficient storage of hydrogen is a critical challenge in the quest for sustainable energy solutions. Current adsorbent-based methods achieve satisfactory storage densities predominantly under cryogenic temperatures and/or high pressures, which imposes problems with cost-efficient and safe implementation of this technology. Materials that can bind hydrogen gas reversibly at ambient temperatures and more moderate pressures could play a pivotal role in enabling hydrogen-powered technologies. In this study, we use reliable computational modeling to investigate two synthetically feasible paths for tuning the enthalpy of H2 binding in MFU-4-type metal–organic frameworks (MOFs), aiming to maximize usable capacity. This study examines MIM4 IICl3(bta)6 (bta– = benzotriazolate) Kuratowski-type clusters as a model for strong binding sites in MFU-4l frameworks. We systematically evaluate the impact of separately tuning the central MII metal ion (which plays a structural role) and the peripheral MI metal ion (which binds the substrate) on the energetics of H2 binding. Our computational study reveals that H2 binding at an MI site mostly follows the trend AgI < CuI < NiI < CoI < AuI while a larger central MII site generally weakens the H2 binding at a MI site. Importantly, we have identified three new combinations of MI and MII to achieve high fractional usable capacities of the total H2 adsorbed under a pressure swing from 5 to 100 bar at room temperature. Additionally, we examine the nature of the binding interaction between the peripheral metal atom and the hydrogen molecule. While charge transfer predominantly induces this interaction, for several atom combinations, a change in the polarization (associated with variations in the ionic radius of the MI binding atom) is another important factor for adjusting the strength of the interaction. We suggest that the proposed compositions of Kuratowski-type clusters are highly desirable synthetic targets for future laboratory study.

Tkachenko, Nikolay V↗
DOE OSTI2021

Reliability-Informed Life Cycle Warranty Cost and Life Cycle Analysis of Newly Manufactured and Remanufactured Units

Standard life cycle techniques such as life cycle warranty cost (LCWC) analysis and life cycle analysis (LCA) are used to respectively quantify the relative economical and environmental advantages of remanufactured goods while simultaneously identifying avenues for improvement. In this paper, we contribute to the literature on life cycle studies by incorporating reliability into LCWC analysis and LCA with the goal of improving long-term/multiple life cycle decision making. We develop a branched power-law model to incorporate the physical degradation mechanisms leading to reduced reuse rates of system parts over multiple life cycles. We then follow a standard LCA protocol to quantify the difference between a new unit and its remanufactured version in terms of environmental impact items such as abiotic depletion potential, global warming potential, and energy consumption. We then devise four practical warranty policies that vary in the choice of replacement and/or provision for extended warranty. All possible replacement scenarios for multiple life cycles are explored for each policy and a mathematically rigorous framework is provided, where the reliability information is used to calculate probabilistic LCWC and life cycle impact items. This reliability-informed LCWC analysis and LCA framework enables design engineers to compare design options and warranty policies by quantifying both economical and environmental impacts to aid in decision making. Although the framework is presented in a general form applicable to any engineered system, we demonstrate the utility of this framework by using a case study of an infinitely variable transmission used in agricultural equipment.

42 ENGINEERING↗
DOE OSTI2022

High-throughput platform for yeast morphological profiling predicts the targets of bioactive compounds

Abstract Morphological profiling is an omics-based approach for predicting intracellular targets of chemical compounds in which the dose-dependent morphological changes induced by the compound are systematically compared to the morphological changes in gene-deleted cells. In this study, we developed a reliable high-throughput (HT) platform for yeast morphological profiling using drug-hypersensitive strains to minimize compound use, HT microscopy to speed up data generation and analysis, and a generalized linear model to predict targets with high reliability. We first conducted a proof-of-concept study using six compounds with known targets: bortezomib, hydroxyurea, methyl methanesulfonate, benomyl, tunicamycin, and echinocandin B. Then we applied our platform to predict the mechanism of action of a novel diferulate-derived compound, poacidiene. Morphological profiling of poacidiene implied that it affects the DNA damage response, which genetic analysis confirmed. Furthermore, we found that poacidiene inhibits the growth of phytopathogenic fungi, implying applications as an effective antifungal agent. Thus, our platform is a new whole-cell target prediction tool for drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Improved solar cell performance and reliability through advanced defect characterization and growth studies

When this project began, CIGS and ACIGS solar cells were still well below the Shockley-Queisser efficiency limit for their bandgaps. Literature review from showed that JSC and FF were ~90% of the ideal values depending on the growth, but that VOC was only around 75% of the ideal value, which provided a clear objective to improve CIGS VOC. In polycrystalline CIGS, semiconductor defects (traps) have been shown by many studies to have detrimental impacts on device performance. Thus, the goal of this project was to investigate the sources and impacts of defects in CIGS, model their impact on device performance to predict efficiency improvements, and develop effective mitigation strategies to reduce the overall trap concentrations of these traps.

14 SOLAR ENERGY↗
DOE OSTI2023

First results on nucleon resonance electroexcitation amplitudes from ep → e'π + π – p' cross sections at W = 1.4–1.7 GeV and Q 2 = 2.0–5.0 GeV 2

The electroexcitation amplitudes or $\gamma_vpN^*$ electrocouplings of the $N(1440)1/2^+$, $N(1520)3/2^-$, and $\Delta(1600)3/2^+$ resonances were obtained for the first time from the $ep \to e'\pi^+\pi^-p'$ differential cross sections measured with the CLAS detector at Jefferson Lab within the range of invariant mass $W$ of the final state hadrons from 1.4–1.7~GeV for photon virtualities $Q^2$ from 2.0--5.0~GeV$^2$. A good description of the nine independent one-fold differential $\gamma_v p\to \pi^+\pi^-p'$ cross sections achieved within the data-driven Jefferson Lab-Moscow State University (JM) meson-baryon reaction model in each bin of ($W$,$Q^2$) allows for separation of the resonant and non-resonant contributions. The electrocouplings were determined in the fits of the $\pi^+\pi^-p$ cross sections within three overlapping $W$ intervals with a substantial contribution from each of the three resonances listed above. Consistent results on the electrocouplings extracted from the data in these $W$ intervals provide evidence for their reliable extraction. These studies extend information on the electrocouplings of the $N(1440)1/2^+$ and $N(1520)3/2^-$ available from this channel over a broader range of $Q^2$. The electrocouplings of the $\Delta(1600)3/2^+$, which decays preferentially into $\pi\pi N$ final states, have been determined for the first time. Here, the reliable extraction of the electrocouplings for these states is also supported by the description of the $\pi^+\pi^-p$ differential cross sections with $Q^2$-independent masses and total/partial hadronic decay widths into the $\pi\Delta$ and $\rho p$ final states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Electric Grid Reliability in an Era of Unprecedented Uncertainty: A Review of Advances in Electric Sector Resource Adequacy Assessment and Planning

Recent changes to the principal causes of energy shortage events on the electric grid have necessitated are thinking of paradigms for resource adequacy (RA) assessment and the related topic of procurement of a reliable portfolio. Prior studies have laid out elements of a modern paradigm for these planning activities, but there does not exist a comprehensive overview of the topic spanning academic and gray literature, and the relationship of these suggested paradigms to methods used in industry has also not been surveyed. In this paper we review recent literature establishing best practices for RA assessment and reliable portfolio procurement, and survey current practices used in industry in relation to these best practices. We establish seven key best practices for RA assessment, cover a modern methodology for capacity accreditation, and find that industry practices are not far behind the identified best practices, though some key gaps remain. We also present a suggested agenda for both academic research on the topic and opportunities for advancement in the industry.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

An Enhanced Computational Framework for Energy Storage Participation in Transmission Planning with Electricity Market Participation: Dynamic Market Participation Restriction Estimation

In the previous study and report, we developed a computational framework to explore the technical and economic viability of the dual use of pumped storage hydropower (PSH) for both transmission assets and market participation. The rationale for the dual-use application is to improve the resource utilization rate and reduce the cost recovery burden. A PSH-based transmission solution generally has a large capacity, which corresponds to a higher investment cost compared to a traditional line solution. Market participation may allow the PSH asset to offset part of its high investment cost. A critical question is whether it is economically and technically viable to allow dual use of a PSH-based transmission project without jeopardizing transmission system reliability. And a more specific follow-up question is how to improve market participation performance while maintaining transmission reliability. In this study, we extend the computational framework by updating the method to determine transmission service obligation requirements dynamically based on the possibility of the need for transmission service in operation. Specifically, we correlate the need for transmission service with the probability of thermal overloading on a monitored transmission line, which is essentially based on the probability distribution of power flow and its probability of exceeding the line rating based on system dispatch and operational uncertainties. In addition, the need depends on the level of risk that a system operator is willing to take. The higher the risk tolerance, the lower the requirement that the system operator would apply to the PSH project as a transmission asset. The requirements are updated every day before the PSH project determines its market participation strategy. With the updated transmission service requirements, it is expected that a PSH project can serve as a transmission asset when the transmission system is at risk and really needs it, while it can participate in a market with sufficient information and certain restrictions. In this way, the transmission service quality and market participation performance can both be improved.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

A Hybrid Physics-Based, Data-Driven Approach to Model Damage Accumulation in Corrosion of Polymeric Adhesives

The degradation of polymeric adhesives in dissimilar joints is a menace to electric and structural components of the automotive industry. In polymeric adhesives, failure often occurs due to damage accumulated from discrete environmental sources—thermal degradation, oxidation, hydrolysis, radiation, and moisture—that are combined with progressive damage mechanisms, such as aging and fatigue. Because most damage mechanisms that lead to degradation act in parallel, the estimation of the lifetime of a polymeric material becomes a significant reliability issue, no study currently exists that can simultaneously consider even two of these phenomena. Most current efforts are directed toward a single-phenomenon, single-model approach in which a model is developed to cover one specific damage mechanism. While this approach is advantageous in exploring single mechanisms, it is strongly inconclusive for degradation that occurs by multiple damage mechanisms. Our team plans to take a fresh perspective by designing a hybrid constitutive/data-driven approach that allows models of different damage mechanisms to be integrated into one model and then used to explore the degradation-induced failure of polymeric adhesives. The theoretical-computational part of this work is divided into four research components as described in the Approach section below.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Characterizing mechanical and microstructural properties of novel montmorillonite-rich polyethylene composites

Montmorillonite (MMT) clays are important industrial materials used as catalysts, chemical sorbents and fillers in polymer–clay nanocomposites. The layered structure of these clays has motivated research into further applications of these low-cost materials, including use as ion exchange media and solid-state ionic conductors. In these applications, the mechanical properties of MMT are key when considering long-term, reliable performance. Previous studies have focused on the mechanical properties of nanocomposites with MMT as the minority component or pure MMT thin films. In this work, the microstructure and mechanical properties of pure MMT and majority MMT/polyethylene composites pressed into dense pellets are examined. Characterization methods such as X-ray diffraction, atomic force microscopy and scanning electron microscopy together with nanoindentation reveal important structure–property relationships in the clay-based materials. Here, utilizing these techniques, we have discovered that MMT processing impacts the layered microstructure, chemical stability and, critically, the elastic modulus and hardness of bulk MMT samples. Particularly, the density of the pellets and the ordering of the clay platelets within them strongly influence the elastic modulus and hardness of the pellets. By increasing pressing force or by incorporating secondary components, the density, and therefore mechanical properties, can be increased. If the layered structure of the clay is destroyed by exfoliation, the mechanical properties will be compromised. Understanding these relationships will help guide new studies to engineer mechanically stable MMT-based materials for industrial applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dual aggregation steering in bulk-heterojunction via solvent engineering toward efficient and stable binary organic solar cells

In high-performance organic solar cells (OSCs), efficient charge transport hinges on a well-optimized morphology of the photoactive layer, which depends critically on controlled aggregation and favorable interactions between donor and acceptor materials. In this work, we introduce a cascade solvent system comprising high-boiling-point ethylbenzene (EB) and low-boiling-point chloroform (CF) to finely tune the aggregation behavior of the D18 donor and L8-BO acceptor. The incorporation of EB not only promotes the H-aggregation of D18 and the J-aggregation of L8-BO but also facilitates the formation of ideal nanoscale phase separation, thereby suppressing bimolecular recombination. As a result, devices processed with the EB/CF solvent blend achieve a best power conversion efficiency (PCE) of 19.6 % and enhanced operational stability, outperforming those fabricated with pure CF (17.1 %). In conclusion, this study offers a reliable and effective strategy for optimizing donor and acceptor aggregation, providing a viable pathway toward higher-performance OSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Lattice Boltzmann simulation of the dissolution of slag in alkaline solution using real-shape particles

Highlights: • A dissolution numerical model was proposed to capture the real dissolution kinetics of slag in alkaline solution. • The log forward dissolution rate of Si was described as a function of NBO/T and solution pH. • A threshold solid volume fraction of 0.688 was found for a voxel in 3D, 63.8% larger than that for a pixel in 2D. • The proposed dissolution numerical model provides a reliable alternative to study the dissolution kinetics of slag. A dissolution numerical model was proposed in this study to capture the real dissolution kinetics of slag in alkaline solution. It consists of three modules, i.e. (i) simulation of the initial particle parking structure of slag in alkaline solution using real-shape particles of slag, (ii) simulation of the chemical reactions between slag and solution based on the transition state theory, and (iii) simulation of the physical transport of aqueous ions using the lattice Boltzmann method. This dissolution numerical model was verified using experimental results, showing reasonable accuracy. After verification, the dissolution numerical model was implemented to study the influences of temperature and particle shape using a proper recipe of slag in alkaline solution. This recipe was designed to avoid solid phase precipitation or gel formation via thermodynamic analysis. The simulation results showed faster dissolution kinetics of slag when using higher temperatures and more irregular particle shapes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Micropolar deep material network

This study extends the Deep Material Network (DMN), a physics-informed machine learning framework, to predict the homogenized mechanical response of composite materials with micropolar (Cosserat-type) constitutive behavior. This extension incorporates microstructure-dependent size effects, enabling accurate, efficient, and size-aware predictions for composites with complex internal architectures. While traditional, direct numerical simulation micropolar models effectively capture size effects by introducing extra local degrees of freedom, they bring significant computational challenges, particularly for multiscale analyses relevant to engineering applications. The micropolar DMN developed in this paper achieves high accuracy while significantly reducing computation time compared to micropolar direct numerical simulations. This advancement enables multiscale analyses and parameter studies that were previously impractical, such as high-cycle fatigue simulations and comprehensive investigations of internal length scale effects notably in size-dependent plastic response and the optimization of lattice structures. By uniting microstructure-sensitive modeling, physics-driven learning, and scalable surrogate modeling, the micropolar DMN paves the way for accelerated material design, large-scale parametric studies, and the reliable incorporation of size-dependent effects across a wide range of engineering applications, including optimization and next-generation composite design.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Scalable graphene sensor array for real-time toxins monitoring in flowing water

Abstract Risk management for drinking water often requires continuous monitoring of various toxins in flowing water. While they can be readily integrated with existing water infrastructure, two-dimensional (2D) electronic sensors often suffer from device-to-device variations due to the lack of an effective strategy for identifying faulty devices from preselected uniform devices based on electronic properties alone, resulting in sensor inaccuracy and thus slowing down their real-world applications. Here, we report the combination of wet transfer, impedance and noise measurements, and machine learning to facilitate the scalable nanofabrication of graphene-based field-effect transistor (GFET) sensor arrays and the efficient identification of faulty devices. Our sensors were able to perform real-time detection of heavy-metal ions (lead and mercury) and E. coli bacteria simultaneously in flowing tap water. This study offers a reliable quality control protocol to increase the potential of electronic sensors for monitoring pollutants in flowing water.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Solar and battery can reduce energy costs and provide affordable outage backup for US households

Distributed energy resources are promising solutions for household energy affordability and resilience as weather extremes and aging infrastructure intensify grid reliability risks. This study presents a comprehensive nationwide assessment of over 500,000 U.S. households, evaluating economic and backup viability of solar-battery systems. We find that 60% of households could reduce electricity costs with average savings of 15%, while 63% of households could achieve affordable backup power during power outages covering an average of 51% of their essential energy needs. However, these benefits show limited alignment with areas of greatest need, particularly in regions facing high outage risks. We also identify significant disparities in access to solar and battery, with less-populated and disadvantaged communities showing consistently lower viability. Furthermore, these findings demonstrate the need for targeted policy interventions to ensure equitable access to solar-battery benefits, especially as states transition from net energy metering to other electricity tariff policies.

14 SOLAR ENERGY↗
DOE OSTI2021

Self-consistent simulation of resistive kink instabilities with runaway electrons

A new fluid model for runaway electron simulation based on fluid description is introduced and implemented in the magnetohydrodynamics code M3D-C1, which includes self-consistent interactions between plasma and runaway electrons. The model utilizes the method of characteristics to solve the continuity equation for the runaway electron density with large convection speed, and uses a modified Boris algorithm for pseudo particle pushing. The model was employed to simulate magnetohydrodynamics instabilities happening in a runaway electron final loss event in the DIII-D tokamak. Nonlinear simulation reveals that a large fraction of runaway electrons get lost to the wall when kink instabilities are excited and form stochastic field lines in the outer region of the plasma. Plasma current converts from runaway electron current to Ohmic current, and get pinched at the magnetic axis. Here, given the good agreement with experiment, the simulation model provides a reliable tool to study macroscopic plasma instabilities in existence of runaway electron current, and can be used to support future studies of runaway electron mitigation strategies in ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Effect of deposition rate on microstructure and mechanical properties of 17-4 PH stainless steel fabricated by laser engineered net shaping

Laser engineered net shaping (LENS) is an additive manufacturing technique for fabricating and repairing metallic components. However, the relationships between its process parameters and the resulting mechanical properties of alloys such as 17-4 precipitation-hardening (PH) stainless steel require further investigation to enable reliable application. This study examines the specific effect of LENS deposition rate on the microstructure and mechanical properties of 17-4 PH stainless steel. Specimens were fabricated at two different deposition rates (8.47 and 9.31 mm s−1), subjected to subsequent solution and H900 aging treatment, and then evaluated via tensile testing, hardness measurements, and microscopy. A higher deposition rate results in a finer grain structure but increased porosity, leading to greater ultimate tensile strength (∼1294 MPa) yet lower ductility (strain at failure ∼5.8%) compared to the slower deposition rate (∼1266 MPa, ∼9.0% strain). Hardness follows the same trend as tensile strength. Tensile fracture surfaces for both conditions exhibited a mixed mode of ductile dimples and brittle quasi-cleavage regions, with chromium/silicon oxide particles identified within dimples. Complementary finite element modeling indicates that small void fractions primarily reduce ductility by enhancing localized plasticity, with only a marginal decrease in tensile strength. These integrated experimental and numerical results elucidate the mechanical properties linked to deposition rate, providing insight into tailoring LENS processes to achieve desired properties of 17-4 PH stainless steel.

17-4 PH stainlesssteel↗
DOE OSTI2021

Optimal surface-tension isotropy in the Rothman-Keller color-gradient lattice Boltzmann method for multiphase flow

The Rothman-Keller color-gradient (CG) lattice Boltzmann method is a popular method to simulate two-phase flow because of its ability to deal with fluids with large viscosity contrasts and a wide range of interfacial tensions. Here, two fluids are labeled red and blue, and the gradient in the color difference is used to compute the effect of interfacial tension. It is well known that finite-difference errors in the color-gradient calculation lead to anisotropy of interfacial tension and errors such as spurious currents. Here, we investigate the accuracy of the CG calculation for interfaces between fluids with several radii of curvature and find that the standard CG calculations lead to significant inaccuracy. Specifically, we observe significant anisotropy of the color gradient of order 7% for high curvature of an interface such as when a pinchout occurs. We derive a second order accurate color gradient and find that the diagonal nearest neighbors can be weighted differently than in the usual color-gradient calculation such that anisotropy is minimized to a fraction of a percent. The optimal weights that minimize anisotropy for the smallest radius of curvature interface are found to be w = (0.298, 0.284, 0.275) for diagonal nearest neighbors for the cases of the interface smoothing parameter β = (0.5, 0.7, 0.99), somewhat higher than the w = 0.25 value derived by Leclaire et al. [Leclaire, Reggio, and Trepanier, Computers and Fluids 48, 98 (2011)] based on obtaining isotropic errors to second order. We find that use of these optimal w values yields over a factor of 10 decrease in anisotropy and over a factor of 30 decrease in mean anisotropy relative to using the standard w = 1 value. And we find a factor of about 2 decrease in the anisotropic error and up to factor 15 decrease in mean anisotropic error relative to the choice of w = 0.25 for small radius of curvature interfaces. The improved CG calculations will allow the method to be more reliably applied to studies of phenomenology and pore scale processes such as viscous and capillary fingering, and droplet formation where surface-tension isotropy of narrow fingers and small droplets plays a crucial role in correctly capturing phenomenology. We present an example illustrating how different phenomena can be captured using the improved color-gradient method. Namely, we present simulations of a wetting fluid invading a fluid filled pipe where the viscosity ratio of fluids is unity in which droplets form at the transition to fingering using the improved CG calculations that are not captured using the standard CG calculations. We present an explanation of why this is so which relates to anisotropy of the surface tension, which inhibits the pinchouts needed to form droplets.

58 GEOSCIENCES↗