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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Effect of Specimen Thickness on Fracture Toughness and Plane Stress to Plane Strain Transition in Medium-Density Polyethylene

This study investigates the effect of specimen thickness on fracture toughness and the transition from plane stress to plane strain conditions in Medium-Density Polyethylene (MDPE) using Single Edge Notched Bend (SENB) specimens. Three thickness groups (7.5 mm, 9.0 mm, and 12.1 mm) were tested following ASTM D5045 protocol. Conditional stress intensity factors (KQ) increased from 2.2 MPavm to 2.8 MPavm with increasing thickness, demonstrating significant size dependency. Confocal microscopy revealed a 34% reduction in maximum crack tip opening displacement (CTOD) from 0.478 mm to 0.314 mm as thickness increased, with plastic zone lateral extent decreasing by 32%. This quantitative evidence validates Irwin's theoretical prediction of plastic zone size transition from plane stress r_y˜ (1/2p) (K_I/s_y )^2 to plane strain conditions r_y˜ (1/6p) (K_I/s_y )^2.Scanning electron microscopy confirmed progressive suppression of shear lips and evolution from ductile tearing with extensive polymer chain drawing in thin specimens to localized crazing in thick specimens. Despite all specimens satisfying the ASTM D5045 criterion (B = 2.5(KQ/s_y )^2 ) ,residual shear lips persisted even in the thickest specimens, demonstrating that nominal size requirements alone are insufficient for achieving complete plane strain conditions in highly ductile polymers. The findings emphasize the necessity of integrated analytical and morphological assessment for valid fracture toughness characterization, with critical implications for life assessment and integrity prediction in thick-section polymer components such as natural gas distribution pipelines.

Medium-Density Polyethylene↗
DOE OSTI2020

Analytical solution for partial heating on the exterior of the pipe with application to measuring fluid flow rate

An analytical model using Green’s functions for partial external heating of a pipe is developed, which results in an exact mathematical solution for the radial and axial temperature distribution in the pipe wall. Partial heating consists of a constant heat flux function imposed over a small section of the exterior of a pipe and for a limited time duration. The solution comprises steady-state and transient parts, and an algebraic identity is used to decrease the number of summation terms in the slowly-converging steady- state part. Intrinsic verification principles are used to verify the solution. As an example application, this transient solution is applied toward the development of a simple, noninvasive method for in-field measurement of the flow rate in pipes. Furthermore, to simulate this application, a pulse of energy is imposed to the wall of the pipe, and the developed mathematical solution is used to find the flow rate of the fluid inside the pipe. An optimal experiment is designed to find the best measurement location and time.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Quantification of the Impact of Acidified Brine on Fracture-Matrix Transport in a Naturally Fractured Shale Using in Situ Imaging and Modeling

Understanding flow, transport, chemical reactions, and hydromechanical processes in fractured geologic materials is key for optimizing a range of subsurface processes including carbon dioxide and hydrogen storage, unconventional energy resource extraction, and geothermal energy recovery. Flow and transport processes in naturally fractured shale rocks have been challenging to characterize due to experimental complexity and the multiscale nature of quantifying continuum scale descriptions of mass exchange between micrometer-scale fractures and nanometer-scale pores. In this study, we use positron emission tomography (PET) to image the transport of a conservative tracer in a naturally fractured Wolfcamp shale core before and after the core was exposed to low pH brine conditions. Image-based experimental observations are interpreted by fitting an analytical transport model to fracture-containing voxels in the core. Results of this analysis indicate subtle increases in matrix diffusivity and a slightly more uniform fracture velocity distribution following exposure to low pH conditions. These observations are compared with a multicomponent one-dimensional reactive transport model that indicates the capacity for a 10% increase in porosity at the fracture-matrix interface as a result of the low pH brine exposure. This porosity change is the result of the dissolution of carbonate minerals in the shale matrix to low pH conditions. Further, this image-based workflow represents a new approach for quantifying spatially resolved fracture-matrix transport processes and provides a foundation for future work to better understand the role of coupled transport, reaction, and mechanical processes in naturally fractured rocks.

58 GEOSCIENCES↗
DOE OSTI2024

Loss cone effects and monotonic sheath conditions of a partially magnetized plasma sheath

In this Letter, we propose the conditions for monotonic plasma sheaths adjacent to a floating wall in the presence of an applied, oblique magnetic field. The electron velocity distribution function (VDF) at the sheath edge obtained from a kinetic model exhibits a loss cone shaped truncation. Using an approximation of the truncated VDF, we derive an analytical framework of the sheath edge condition (i.e., Bohm condition), namely, the relation of ion injection velocity and sheath potential drop as a function of the magnetic field angle. The results show that the sheath edge velocity and total potential drop decrease for a steady-state sheath, which eventually collapses when the magnetic field lines become parallel to the wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Revolutionizing Turbine Cooling with Micro-Architectures Enabled by Direct Metal Laser Sintering

The objective of this research effort was to explore innovative cooling architectures enabled by additive manufacturing techniques for improved turbine cooling performance. The ability to create complex internal geometries was leveraged to better distribute coolant as well as to integrate inherently unstable flow devices to enhance internal and external heat transfer. This was accomplished with a multi-faceted approach including analytical, experimental, and computational components. This final report documents progress during the total 4.25 year effort that was extended (at no additional cost) from the original 3-year cooperative agreement. Prior to starting the project, significant effort was invested in investigating innovative cooling designs from the open literature. When the project started, we quickly down-selected to 4 configurations: impingement jet fluidic oscillators (for internal leading edge cooling), reverse film cooling (for pressure surface), sweeping film cooling jets (for suction surface), and trailing edge slot cooling with microchannels. During the 2nd year, the reverse film cooling design was shown to be sub-optimal and work on that topic was halted. The three remaining technologies were integrated into a large scale nozzle guide vane and installed into a low-speed linear cascade facility for further interrogation. Initial results showed the sweeping film cooling jets (on the suction surface) to be the most promising technology compared to a baseline diffusion shaped film hole (777 design). The benefit was particularly evident at high blowing ratios (>1.5) when the 777 coolant film separated from the downstream surface. Benefits were also evident at elevated freestream turbulence levels. The leading edge cooling with unsteady jets was less effective in terms of peak or average cooling – however it was superior to round hole impingement cooling in terms of spatial uniformity. Finally, the trailing edge cooling design with micro-channels was scrapped in favor of a pinned arrangement with centerbody. During the 3rd year, the same three technologies were integrated into a transonic linear cascade for an assessment of compressibility effects. Again, the sweeping film cooling jets proved superior at high blowing ratios while the unsteady leading edge impingement and trailing edge pin-fins with centerbody designs yielded mixed results. Finally, during the 4th and final year, these 3 technologies were integrated into a direct metal laser sintered (DMLS) nozzle guide vane for testing in a high temperature, transonic annular vane cascade. The facility matches the flow temperature, Mach number, and coolant pressure ratios of an actual gas turbine. Before doing this, an additional series of tests were completed to validate a redesigned trailing edge cooling architecture. This final design included a centerbody with triangular pins between the centerbody and the vane external skin. The majority of these triangular pins are fabricated with a 30% gap to the centerbody – reducing their pressure drop considerably while still providing excellent heat transfer augmentation. This additional test campaign required an additional 3-month extension request to complete testing in the high temperature NGV test facility (Turbine Reacting Flow Rig – TuRFR). Testing of the DMLS vane in TuRFR pitted the 3 innovative cooling technologies against more traditional technologies (shaped 777 film hole, round impingement jet, and full pin arrangement in the trailing edge. The sweeping film cooling jets (on the suction surface) showed approximately 15% improvement in overall effectiveness compared to the 777 film hole while the trailing edge showed up to 20% improvement. The leading edge impingement was disappointing with a substantially lower effectiveness than traditional direct impingement. In summary, the study was successful in demonstrating that DMLS-enabled cooling technologies can yield significant gains in cooling performance.

03 NATURAL GAS↗
DOE OSTI2023

Cosmic Frontier Project at SMU

The SMU group led by Professor Robert Kehoe continued to work to constrain dark energy measurements of the Dark Energy Spectroscopic Instrument (DESI). These constraints are obtained by measuring the expected peak in characteristic distance scale between galaxies, the ‘BAO peak’, as a function of redshift for four different types of galaxy. DESI will cover the redshift range to z<3.5 with approximately 40 million galaxy spectra. SMU’s primary emphasis during the funding period was on the early DESI data, including the development of software that would allow the measurement of the impact of incomplete targeting of galaxies in the survey. We provided software to calculate the weights that are critical to permit us to correctly compare data to the theoretical calculations of dark matter halos. SMU also began development of software that can be integrated into the analysis pipeline that uses alternate targeting to generate these weights. Baryonic physics has a critical impact on galaxy development and placement within dark matter halos. SMU also increased its efforts in the area of modeling this galaxy-halo connection in two areas. The primary emphasis was to work on a sub-halo abundance matching scheme using dark matter simulation with very fine mass resolution (‘Uchuu’). Our effort here is to produce models for use by DESI that more correctly account for the subhalo structure of dark matter distribution, and its manifestation in satellite galaxies. Our initial effort had been for emission line galaxies. In the funding period, we were able to produce first halo-occupation distribution models. This work is slated to contribute to DESI Key Project papers. We also furthered our ongoing effort to study galaxy placement in halos using semi-analytic methods. Kehoe’s group also continued to maintain its strong role in DESI Operations, with SMU postdoc serving as a Lead Observing Scientist.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Technical Learning and Integration of Interns in Advanced Protection Lab Space: Enhancements to Testbed and Experiments to Improve Workflows for Producing Datasets

This report presents a successful technical learning integration of student interns in the Advanced Protection Laboratory space, located in the Grid Research Integration and Deployment Center (GRID-C) at the Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL). The Advanced Protection Laboratory was created for the primary goal of supporting DOE’s research projects and technical staff at ORNL. As a secondary goal, the space was used for collaborating with ORNL’s intern programs, providing support to the lab’s mentors and student interns. In 2024, three student interns spent a summer in the Advanced Protection lab space and were involved in the DarkNet Distributed Ledger Technology (DLT) project. The students had a great opportunity to gain hands-on experience with communication and protective relay equipment focused on information technology, data analytics, and cybersecurity. Experiences in the lab space with real equipment and software integration offer education and professional development for students, which is especially important because of a need in the energy industry to recruit highly skilled power and communication engineers.

42 ENGINEERING↗
DOE OSTI2021

BETO 2021 Peer Review - FCIC Task 6: High Temperature Conversion

The impacts of feedstock variability on pyrolysis processes are significant but poorly defined. Current engineering designs are based on empirical guidelines, useful only over a narrow range of feedstock properties. The objectives of this project are to (1) Develop science-based knowledge of how feedstock attributes and operational parameters impact pyrolysis process reliability and product quality; and (2) Build an experimental and computational toolset that predicts these outcomes, enabling processes to optimize reliability and product quality. Biomass is a complex feedstock. Controlling for and testing the effects of individual attributes is very challenging. This project couples multiscale experimentation and modeling to accurately capture the fundamental physics and chemistry of biomass flow and conversion behavior in feeding and pyrolysis reactor operations. Our focus is on pine residue attributes – anatomical fraction (bark, needles, wood), particle morphology (size/shape distribution, density, porosity), and chemical composition (extractives, biopolymers, alkali metals) – that impact product quality for downstream catalytic upgrading. Because detailed pyrolysis product characterization is limited, cutting-edge analytical techniques are being developed to reveal impactful product attributes. The tools and knowledge developed here will enable integrated pyrolysis-based processes that are more robust, flexible, and market-responsive with respect to feedstock variability.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Grid Utility Asset Vulnerability Assessment (GUAVA) Software Tool

Increasing demand and changes in generation portfolios is pushing power grid to operate towards the limit. However, due to lack of analytical tools for understanding various scales of impact on grid, it is becoming more vulnerable to wide scale power outages and blackouts. A vulnerable grid operating at its limit can be easily disrupted by asset failures caused by devastating hurricanes which has been known to damage transmission and distribution lines along its track. In this direction, researchers have focused on determining these assets by conducting Monte Carlo simulations of hurricanes with uncertainties and collected a large set of simulation data. To determine the infrastructure updates necessary for mitigating wide scale impact of hurricanes on the grid, we propose a software tool named “Grid Utility Asset Vulnerability Analysis” (GUAVA) framework. GUAVA presents a novel data-driven probabilistic analytical approach to (1) post-process hurricane failure scenarios, (2) identify/rank assets that are most vulnerable and critical to failing and are associated with highest impact/risk, and (3) to inform system upgrade decisions & prioritization. Based on the observed results and employed data-driven methodology, it is expected GUAVA can be adapted to provide power system planners with a recommendation engine for making informed decisions to improve resilience of grid.

Mahapatra, Kaveri↗
DOE OSTI2023

Polymerization of Terminal Acetylenes by a Bulky Monophosphine-Palladium Catalyst

A well-defined palladium complex [(tBuXPhos)Pd(Me)(BAr f )] bearing a bulky monophosphine ligand was synthesized and fully characterized. X-ray diffraction analysis shows that the 1,3,5-triisopropylaryl group of the dialkylbiaryl phosphine ligand exhibits a weak η 6 -interaction with the Pd(II) center. This catalyst exhibits excellent functional group tolerance and polymerizes propargyl esters containing benzoyl and acetyl groups, propargyl methyl ether, propargyl alcohol, benzyl acetylene, and phenyl acetylene to yield polymers with M n values in the range of 5–15 kDa with monomodal molecular weight distributions between ca. 1.4 and 2.1.

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

Predicting the chemical space of fungal polyketides by phylogeny-based bioinformatics analysis of polyketide synthase-nonribosomal peptide synthetase and its modification enzymes

Fungal polyketide synthase (PKS)–nonribosomal peptide synthetase (NRPS) hybrids are key enzymes for synthesizing structurally diverse hybrid natural products (NPs) with characteristic biological activities. Predicting their chemical space is of particular importance in the field of natural product chemistry. However, the unexplored programming rule of the PKS module has prevented prediction of its chemical structure based on amino acid sequences. Here, we conducted a phylogenetic analysis of 884 PKS–NRPS hybrids and a modification enzyme analysis of the corresponding biosynthetic gene cluster, revealing a hidden relationship between its genealogy and core structures. This unexpected result allowed us to predict 18 biosynthetic gene cluster (BGC) groups producing known carbon skeletons (number of BGCs; 489) and 11 uncharacterized BGC groups (171). The limited number of carbon skeletons suggests that fungi tend to select PK skeletons for survival during their evolution. The possible involvement of a horizontal gene transfer event leading to the diverse distribution of PKS–NRPS genes among fungal species is also proposed. This study provides insight into the chemical space of fungal PKs and the distribution of their biosynthetic gene clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

CRADA Number NFE-24-10110 with Qubit Engineering Inc. (CRADA Final Report)

Over the past year, the Qubit Engineering team has pushed the frontiers of power‑grid optimization, working in close collaboration with Oak Ridge National Laboratory (ORNL) and the Tennessee Valley Authority (TVA). Their progress is reflected in three newly submitted conference papers, “Unified Relational GNN Architecture for AC Optimal Power Flow Calculations in Electric Grids,” “Graph‑Based Attention Mechanisms for Solving the AC Optimal Power Flow Problem in Electrical‑Power Networks,” and “Enhanced Power‑Grid Maintenance Planning and Quantum‑Inspired Combinatorial Prospects.” These publications showcase state‑of‑the‑art graph‑neural‑network methods for AC‑OPF and novel quantum‑inspired heuristics for maintenance scheduling. Beyond the academic results, the Qubit team has converted the research into two production‑grade tools built on TVA data: Neuro‑Grid, an AI‑driven power‑flow simulator that provides instant, interactive full‑grid load‑flow visualizations, and Quanta‑Grid, a quantum‑inspired maintenance‑scheduling engine to support logistics optimization for power utilities. Together, these advances demonstrate how Qubit’s partnership with ORNL and TVA is delivering practical, physics‑grounded analytics for next‑generation grid management.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Shoulder fillet effects in strength distributions of microelectromechanical system components

The failure forces and fracture strengths of polysilicon microelectromechanical system (MEMS) components in the form of stepped tensile bars with shoulder fillets were measured using a sequential failure chain methodology. Approximately 150 specimens for each of four fillet geometries with different stress concentration factors were tested. The resulting failure force and strength distributions of the four geometries were related by a common sidewall flaw population existing within different effective stressed lengths. The failure forces, strengths, and flaw population were well described by a weakest-link based analytical framework. Finite element analysis was used to verify body-force based expressions for the stress concentration factors and to provide insight into the variation of specimen effective length with fillet geometry. Monte Carlo simulations of flaw size and location, based on the strength measurements, were also used to provide insight into fillet shape and size effects. The successful description of the shoulder fillet specimen strengths provides further empirical support for application of the strength and flaw framework in MEMS fabrication and design optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Demonstrating SolarPILOT’s Python API Through Heliostat Optimal Aimpoint Strategy Use Case

SolarPILOT is a software package that generates solar field layouts and characterizes the optical performance of concentrating solar power (CSP) tower systems. SolarPILOT was developed by the National Renewable Energy Laboratory (NREL) as a stand-alone desktop application but has also been incorporated into NREL’s1 System Advisor Model (SAM) in a simplified format. Prior means for user interaction with SolarPILOT have included the application’s graphical interface, the SAM routines with limited configurability, and through a built-in scripting language called “LK.” This paper presents a new, full-featured, Python-based application programmable interface (API) for SolarPILOT, which we hereafter refer to as CoPylot. CoPylot provides access to all SolarPILOT’s capabilities to generate and characterize power tower CSP systems seamlessly through Python. Supported capabilities include (i) creating and destroying a model instance with message reporting tools; (ii) accessing and setting any SolarPILOT variable including custom land boundaries for field layouts; (iii) programmatically managing receiver and heliostat objects with varied attributes for systems with multiple receiver or heliostat types; (iv) generating, assigning, and modifying solar field layouts including the ability to set individual heliostat locations, aimpoints, soiling rates, and reflectivity levels; (v) simulating solar field performance; (vi) returning detailed results describing performance of individual heliostats, the aggregate field, and receiver flux distribution; and, (vii) exporting Python-based model instances to multiple file formats. CoPylot enables Python users to perform detailed CSP tower analysis utilizing either the Hermite expansion technique (analytical) or the SolTrace ray-tracing engine. In addition to CoPylot’s functionality, Python users have access to the over 100,000 open-source libraries to develop, analyze, optimize, and visualize power tower CSP research. This enables CSP researchers to perform analysis that was previously not possible through SolarPILOT’s existing interfaces. This paper discusses the capabilities of CoPylot and presents a use case wherein we demonstrate optimal solar field aiming strategies.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2023

Concordance

Dimension reduction techniques have long been an important topic in statistics, and active subspaces (AS) have received much attention this past decade in the computer experiments literature. The most common approach towards estimating the AS is to use Monte Carlo with numerical gradient evaluation. This software takes a new approach towards estimating the active subspace, in which Multivariate Adaptive Regression Splines (MARS) is used as a surrogate model, and relevant calculation are obtained analytically. Using a MARS surrogate has many advantages including improved scaling, better estimation of active subspaces in high dimensions and the ability to handle a large number of prior distributions in closed form. This software is also capable of conducting a so-called "concordance analysis", using a generalization of ASs which we refer to as "Co-Active" subspaces.

Rumsey, Kelin↗
DOE OSTI2026

The impact of aerosol mixing state on immersion freezing: insights from classical nucleation theory and particle-resolved simulations

Immersion freezing, initiated by ice-nucleating particles (INPs) in supercooled aqueous droplets, plays an important role in the formation of ice crystals within clouds. The efficiency of immersion freezing depends strongly on INP composition and, crucially, on the mixing state – how chemical species are distributed across the particle population. Here, we quantify the impact of aerosol mixing state on immersion freezing using a combined theoretical and particle-resolved modeling approach. We derive analytical expressions for the frozen fraction of internally and externally mixed INP populations based on classical nucleation theory, showing that the frozen fraction is sensitive to whether ice-active species are present in all particles or only in a subset of the population. We introduce a multi-species immersion freezing scheme into the particle-resolved model PartMC, using the water activity-based immersion freezing model (ABIFM) to compute freezing probabilities for mixed-composition particles. To improve computational efficiency, we implement a Binned Tau-Leaping algorithm and demonstrate an order-of-magnitude speedup with minimal accuracy loss. Simulations reproduce the analytical trends in limiting cases and extend the analysis to more general aerosol populations, where mixing state continues to exert a substantial control on frozen fraction. Sensitivity analyses across particle size, species type, and cooling condition reveal that the mixing state effect is most pronounced when small amounts of highly efficient INPs are mixed with less efficient materials. These findings underscore the need to represent aerosol mixing state explicitly in models of heterogeneous ice nucleation to reduce uncertainty in cloud-phase partitioning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Product distribution, kinetics, and aerosol formation from the OH oxidation of dimethyl sulfide under different RO 2 regimes

Abstract. The atmospheric oxidation of dimethyl sulfide (DMS) represents a major natural source of atmospheric sulfate aerosols. However, there remain large uncertainties in our understanding of the underlying chemistry that governs the product distribution and sulfate yield from DMS oxidation. Here, chamber experiments were conducted to simulate gas-phase OH-initiated oxidation of DMS under a range of reaction conditions. Most importantly, the bimolecular lifetime (τbi) of the peroxy radical CH3SCH2OO was varied over several orders of magnitude, enabling the examination of the role of peroxy radical isomerization reactions on product formation. An array of analytical instruments was used to measure nearly all sulfur-containing species in the reaction mixture, and results were compared with a near-explicit chemical mechanism. When relative humidity was low, “sulfur closure” was achieved under both high-NO (τbi<0.1 s) and low-NO (τbi>10 s) conditions, though product distributions were substantially different in the two cases. Under high-NO conditions, approximately half the product sulfur was in the particle phase, as methane sulfonic acid (MSA) and sulfate, with most of the remainder as SO2 (which in the atmosphere would eventually oxidize to sulfate or be lost to deposition). Under low-NO conditions, hydroperoxymethyl thioformate (HPMTF, HOOCH2SCHO), formed from CH3SCH2OO isomerization, dominates the sulfur budget over the course of the experiment, suppressing or delaying the formation of SO2 and particulate matter. The isomerization rate constant of CH3SCH2OO at 295 K is found to be 0.13±0.03 s−1, in broad agreement with other recent laboratory measurements. The rate constants for the OH oxidation of key first-generation oxidation products (HPMTF and methyl thioformate, MTF) were also determined (kOH+HPMTF=2.1×10-11 cm3 molec.−1 s−1, kOH+MTF=1.35×10-11 cm3 molec.−1 s−1). Product measurements agree reasonably well with mechanistic predictions in terms of total sulfur distribution and concentrations of most individual species, though the mechanism overpredicts sulfate and underpredicts MSA under high-NO conditions. Lastly, results from high-relative-humidity conditions suggest efficient heterogenous loss of at least some gas-phase products.

Ye, Qing (ORCID:0000000337978988)↗