SEARCH · Engineering Papers

Results for “Conditional distribution”

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.

SourceResearch connectionFrom yearThrough year

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

At least 127 records · Page 7

All sources NASA NTRS DOE OSTI

DOE OSTI2026

Multi-scale structural analysis of swift heavy ion-irradiated ZrO 2 and HfO 2

The radiation-induced monoclinic-to-tetragonal phase transition in ZrO 2 and HfO 2 has been the subject of many investigations, but the transformation pathways and underlying structural mechanisms are still not well understood. In this study, microcrystalline powder samples of ZrO 2 and HfO 2 were irradiated with 946 MeV and 1470 MeV Au ions to a wide fluence range up to 3 × 10 13 ions/cm 2 . To characterize beam-induced structural modifications across all spatial length scales, complementary experimental techniques such as synchrotron X-ray diffraction and spallation neutron total scattering were used. The phase evolution of the tetragonal polymorph with increasing ion fluence is accurately described by a heterogeneous track-overlap model that incorporates both direct- and double-impact processes. These damage accumulation processes are an expression of a core-shell ion track morphology that depends on irradiation conditions and target material. Neutron pair distribution function analysis revealed that ion-beam-induced tetragonal ZrO 2 is merely a configurational average of short-range orthorhombic (Pbcn) domains stabilized by a dense network of domain walls. Furthermore, this knowledge is critical for a better understanding of how crystalline-to-crystalline phase transformations proceed at the atomic scale under extreme conditions.

Monoclinic-to-tetragonal phase transformation↗

DOE OSTI2026

Continual Learning for Particle Accelerators

Particle accelerators operate under dynamically changing conditions, which often lead to data distribution drifts. These drifts pose significant challenges for Machine Learning (ML) models, which typically fail to maintain performance when faced with such non-stationary data. In particle accelerators, the primary sources of these data drifts include changes in accelerator settings and non-measured parameters such as machine degradation and environmental factors. Previous research has proposed conditional models to handle multiple beam configurations effectively; however, it is challenging to train the ML models on all possible configuration settings. Additionally, conditional models alone can not address performance degradation caused by drifts due to non-measured factors. These limitations contribute to a significant gap between ML development and its deployment in real-world operational settings. To bridge this gap, in this paper, we identify some of the key areas within particle accelerators where continual learning can help mitigate drift-induced performance degradation. In addition, we present a practical use case where a conditional Auto-Encoder model coupled with memory-based continual learning has been employed to demonstrate stable performance even when underlying data drifts.

Schram, Malachi [Thomas Jefferson National Acceler↗

DOE OSTI2026

Continual Learning for Particle Accelerators

Rajput, Kishansingh [Thomas Jefferson National Acc↗

DOE OSTI2025

Heat load measurements for the PIP-II pHB650 cryomodule

This study presents a brief overview of the 1st and 2nd phases and an in-depth analysis of the 3rd phase heat load testing performed on the pHB650 (prototype High Beta 650 MHz) cryomodule at PIP2IT (PIP-II Injector Test Facility), with a focus on both the results and the methodological advancements that have improved testing efficiency and accuracy. A key challenge identified in the testing campaign is the higher-than-expected heat loads observed in the first PIP-II (Proton Improvement Plan II) prototype cryomodules (pSSR1 and pHB650) tested at PIP2IT. Elevated heat loads are concerning given the fixed capacity of the PIP-II cryoplant that is currently being installed at Fermilab. However, understanding the sources of these elevated heat loads offers a critical opportunity to implement effective heat load mitigations on upcoming PIP-II cryomodules to stay within the available capacity of the PIP-II cryoplant. The study includes a summary of test results, descriptions of measurement procedures, and key observations on parameters directly and indirectly related to heat load measurements. Direct observations include measured heat loads and the effectiveness of JT heat exchanger under varying conditions, while indirect observation analyze factors such as the temperature distribution on the two-phase pipe and relief piping under varying conditions. Thermal acoustic oscillations (TAO) were identified during testing, which was mitigated by replacing the original G10 stem with a stainless steel stem equipped with wipers for the cryomodule cooldown valve. A major innovation during pHB650 Phase 3 testing was the development of an automated Python script to streamline data acquisition, analysis, and reporting of heat load results. This script automatically retrieved data from ACNET (Accelerator Control Network), performed heat load calculations, and generated detailed reports featuring plots and tables. This advancement significantly reduced manual labor and enhanced the thoroughness of data analysis compared to earlier campaigns. The heat load test reports were promptly uploaded to the electronic logbook shortly after each test, enabling rapid feedback and collaboration between the SRF and cryogenic teams. The heat load measurements included various components: HTTS (high-temperature thermal shield), LTTS (low-temperature thermal shield), 2K isothermal and non-isothermal heat loads. Results were recorded both within the cryomodule and between the bayonet can supply and return. Measurements were conducted under different operating conditions such as "standard", "linac", and "simulated dynamic". Additionally, HTTS and LTTS heat loads were calculated in real time, allowing for the tracking of thermal stability and identification of changes during testing, both in steady-state and transient conditions. The results of this testing campaign not only provide valuable insights into the performance of the pHB650 cryomodule but also highlight best practices and lessons learned that will inform future cryomodule testing at PIP2IT. These include adopting automated tools for data analysis, refining real-time measurement capabilities, and emphasizing detailed pre-test planning. The framework established in this campaign aims to set an improved standard for cryomodule testing and heat load reporting in future cryomodule test campaigns.

Porwisiak, D. [Fermilab; Wroclaw Tech. U.]↗

DOE OSTI2024

An integrated approach to optimizing concentration shock wave electrodialysis using 2D multicell simulation and response surface models

Shock wave electrodialysis (SWED) is a highly promising technique for energy-efficient ion separation in the context of a circular economy. This paper presents a approach way of modeling and improving SWED using a two-dimensional multicell model combined with the COMSOL program and response surface methodology. The model integrates the Nernst-Planck equation, Darcy's law, and first-order electroosmosis to examine the local concentration, flux of ionic species, distribution of current, and velocity of flow in SWED cells under various operating conditions. We first illustrate the clear depiction of concentration, velocity, and electric potential distribution through contours which aids in identifying optimal operating conditions and designing scalable SWED systems. The results emphasize the significance of surface charge density and voltage in influencing the features of shock waves for obtaining effective ion separation while optimizing energy consumption and improving current efficiency by controlling the retention time of feed flow. Here, this study defines two crucial characteristics of shock waves, namely the length of the flat depletion zone of a fully developed shock wave (shock wave height) and the distance of shock wave propagation (shock wave length). These properties significantly impact separation performance, as determined by the simulation results. Additionally, the response surface methodology is incorporated with the COMSOL models to develop predictive models and graph responses, enabling a more comprehensive understanding of the interactions between parameters and performance indicators, such as removal ratio, energy consumption, and water recovery. Finally, this work suggests design tactics for expanding SWED processes and outlines potential areas for further research. This research provides valuable insights into the prospective applications, design optimization, and scalability of SWED in the field of electrokinetic separation technologies for green chemistry and a circular economy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Insights into determining pore size properties of ultrafiltration membranes

The selectivity of porous membranes is often characterized using solute rejection tests, where membranes are challenged with dilute aqueous solutions of neutral solutes at operating conditions that minimize concentration polarization and fouling. In single solute tests, a membrane is challenged with one molecular weight (MW) solute at a time from low to high MW. Since single solute methods are time-intensive, mixed solute tests have become more common, where a mixture of several MW solutes challenges a membrane at once. However, the presence of large solutes in a mixture increases the rejection of smaller solutes. Furthermore, there are no universally accepted operating conditions or standard methods used by membrane manufacturers or researchers for the experiments, leading to difficulty in pore size and pore characteristic comparisons. In this paper, commercial ultrafiltration membranes were challenged with single and mixed solute polyethylene glycol (PEG) and dextran aqueous solutions. First, rejection values determined using total organic carbon (TOC) and high-performance liquid chromatography (HPLC) from single solute filtration experiments are compared. Differences in rejection curves obtained by the two techniques are attributed to solute polydispersity. Mixed solute filtration experiments with binary mixtures of solutes showcased co-solute interactions, which increase with both the size and weight percent of large solute in the mixture. Mixed solute filtration experiments at varying operating conditions (i.e., stir speed and flux) were conducted to determine operating conditions that mitigate co-solute interactions. Stir speed had a minimal effect on co-solute interactions. In contrast, low flux conditions can help minimize co-solute interactions, leading to pore size distributions that closely resemble results observed in single solute filtration using narrowly dispersed solutes. Additionally, at low flux conditions, the predicted membrane pore size distributions utilizing mixed solute experiments with PEG and dextran were similar.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Data-driven nonlocal model for fragmentation in the crushing of solids

A technique is proposed for reproducing particle size distributions in three-dimensional simulations of the crushing and comminution of solid materials. The method is designed to produce realistic distributions over a wide range of loading conditions, especially for small fragments. In contrast to most existing methods, the new model does not explicitly treat the small-scale process of fracture. Instead, it uses measured fragment distributions from laboratory tests as the basic material property that is incorporated into the algorithm, providing a data-driven approach. The algorithm is implemented within a nonlocal peridynamic solver, which simulates the underlying continuum mechanics and contact interactions between fragments after they are formed. Finally, the technique is illustrated in reproducing fragmentation data from drop weight testing on sandstone samples.

58 GEOSCIENCES↗

DOE OSTI2026

Department of Transportation PHMSA Aerosol Spray Project: Phase-0

This report discusses the work conducted at Sandia National Laboratories during the preliminary phase (Phase-0) of the Department of Transportation (DOT) Pipeline and Hazardous Materials Safety Administration (PHMSA) project tasked to better understand what happens to a high-pressure liquid canister or vessel during a fire in which an accidental instantaneous release occurs. Phase 0 had two main objects: (1) to establish a methodology for the high temperature and pressure spray vessel release and (2) to characterize the spray droplet formation. For this test series, diagnostic equipment such as the Malvern Spraytec, high-speed photometric cameras, pencil gauges, and thermocouples were used. Additionally, the effect of surface tension on the particle size distribution was evaluated with 1-liter of distilled water and with the same including the addition of 0.5% soap/water mixture. Results from this effort indicated that the plume formed from the instantaneous release in all conditions primarily included two distinct particle size distributions including 217-312µm and 0.53µm on average. Soapy water formed a higher concentration of smaller mist (0.53µm) than distilled water, potentially due to decreased surface tension with the added surfactant. Though results showed good correlation to certain particle size distributions it is encouraged to conduct additional tests like this with a wider range of liquids with different properties, which could affect the overall particle size distribution when released.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Laser aberration signatures in expelled electrons from a tenuous gas

We describe a mechanism by which the aberration content of a focused, multiterawatt laser is imprinted upon the forward angular distribution of electrons ionized within and ponderomotively expelled from the focal volume. In our experiments, the laser aberration type and magnitude are controllably varied, and the measured electron distributions are correspondingly modified in a way consistent with predictions from numerical simulations. This imprint mechanism shows potential for enabling the development of accurate focal-spot characterization of intense lasers when fired at full power and is being developed for extension to petawatt laser systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

FLOWERS AEP: An Analytical Model for Wind Farm Layout Optimization

Annual energy production (AEP) is commonly used in objective functions for wind farm layout optimization. AEP is proportional to wind farm power production integrated over an annual distribution of free-stream wind conditions. Physics-based estimates of wind farm power production typically rely on low-fidelity engineering wake models that approximate the steady-state wind farm flow field. AEP estimates are then obtained by performing independent simulations for discrete wind conditions and using rectangular quadrature to account for each condition's expected frequency of occurrence. Depending on the number of simulated discrete wind conditions, this numerical integral could be hampered by poor accuracy or high computational costs. The FLOWERS AEP model instead poses an analytical integral of the engineering wake model over the variable wind conditions, yielding a closed-form, analytical function for wind farm AEP. This paper derives the analytical functions for FLOWERS AEP and its derivatives with respect to turbine position, which are useful for gradient-based wind farm layout optimization, in nondimensional form. We then analyze the benefits of the FLOWERS AEP model over conventional reference models, focusing on its low cost, adequate wake loss predictions, and smooth design space. Although the FLOWERS approach is found to predict the exact value of AEP with some error relative to the reference model (within 14% on average), it dramatically reduces computation time by an order of magnitude, produces a qualitatively similar design space at relatively low resolution, and yields comparable optimal layouts. This significant speed improvement is critical in layout optimization applications, where determining an optimal layout in an efficient manner is more important than precise AEP prediction.

17 WIND ENERGY↗

DOE OSTI2025

Field validation of dynamic mechanical torque measurements using fiber-optic strain sensors for geared wind turbines

Abstract Accurate knowledge of the mechanical loads of wind turbine gearboxes has become essential in modern, highly loaded gearbox designs, as maintaining or even improving gearbox reliability with increasing torque density demands is proving to be challenging. Unfortunately, the traditional method of measuring dynamic mechanical torque using strain gauges placed on the outer surface of a rotating shaft and transmitting the resulting signal is unsuitable for serial deployment due to technical and economic constraints. An alternative method based on fiber-optic strain sensors placed on the stationary outer surface of the gearbox ring gear has been proposed. Like shaft torsion, the radial deformation of the ring gear is proportionate to the rotor torque. Placing the sensors on a stationary component is a cost-effective alternative for serial implementation because the need for complex and expensive data transfer via wireless transmission or a slip ring is eliminated. In this paper, we present the results of an extensive field experiment conducted to evaluate the torque measurement accuracy of this novel sensing solution installed on the gearbox of a Gamesa G97 2-MW wind turbine at the National Renewable Energy Laboratory’s Flatirons Campus. Torque measurements derived from fiber-optic strain sensors placed on the ring gear of the planetary stage are compared to conventional torque measurements from strain gauges placed on the main shaft. Two different torque estimation data processing methods were evaluated, with the method based on operational deflection shapes providing the most accurate results with an average normalized root mean square error below 0.7% for a load revolution distribution analysis. The effect of operating conditions on the torque estimate was also investigated, and the third planet-passing operational deflection shape was found to be the least sensitive to nontorque load-related effects. The fiber-optic strain sensors’ successful operation during the complete test campaign has demonstrated a robust and accurate solution for fleet-wide enhanced gearbox remaining useful life estimation.

17 WIND ENERGY↗

DOE OSTI2026

In Situ Imaging Reveals Efficient Charge Separation in Monolayer MoS 2 –WS 2 Type-II Heterojunctions

Covalently bonded in-plane two-dimensional (2D) transition metal dichalcogenide (TMD) heterojunctions with atomically sharp interfaces hold great promise for photocatalytic applications in solar energy conversion and environmental remediation; however, their spatially resolved charge distribution and transport, particularly under operando conditions, remain poorly understood. Here, we employ photoscanning electrochemical microscopy (photo-SECM) to directly visualize photoinduced charge separation in monolayer MoS 2 –WS 2 in-plane heterojunctions. Spatial separation of photogenerated carriers is observed, with electrons accumulating in MoS 2 and holes in WS 2 , leading to strongly asymmetric interfacial kinetics: Fc + reduction proceeds rapidly on MoS 2 (0.6 cm s –1 ), whereas Fc oxidation on WS 2 is significantly slower (0.008 cm s –1 ). High-resolution surface photovoltage microscopy (SPVM) enables a quantitative comparison of charge-separation capacity across architectures. The in-plane MoS 2 –WS 2 heterojunction shows the largest photovoltage contrast (−35 mV in MoS 2 , 20 mV in WS 2 ), exceeding the vertical heterojunction (−18 mV in MoS 2 , 11 mV in WS 2 ) and the individual monolayers (−12 mV for MoS 2 , – 1 mV for WS 2 ), establishing the following trend: in-plane > vertical > monolayers. Ultraviolet photoelectron spectroscopy (UPS) indicates that this directional charge separation is driven by intrinsic type-II band alignment, while photoluminescence (PL) imaging shows that the interface acts as a recombination center that limits efficient carrier extraction. These results provide direct experimental evidence of type-II-driven charge separation in in-plane heterojunctions and offer critical insights for interface design in high-efficiency photocatalytic and optoelectronic systems.

electrical properties↗

DOE OSTI2026

Active learning enables generation of molecules that advance the known Pareto front

Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the properties of the structures represented in the training distribution. We find that this limitation arises not only from the molecule generation process itself, but also from the poor generalization capabilities of molecular property predictors. We address this challenge by creating a closed-loop molecule generation pipeline with iterative retraining on new quantum chemical simulation data. Compared against static, single-pass generative modeling approaches, only our closed-loop iterative workflow generates molecules with properties extending beyond the training distribution (up to 0.44 standard deviations beyond the original range) and achieves a 79% improvement in out-of-distribution molecule classification accuracy. Furthermore, by conditioning molecular generation on thermodynamic stability data obtained during the iterative loop, the proportion of stable and hence potentially synthesizable molecules generated is 3.5x higher than the next-best model.

Chemistry↗

DOE OSTI2026

A Fast and Accurate Reduced-Order Model for High-Intensity Transferred Arc Discharges

Arc discharges are widely used in welding, plasma smelting, and other industrial processes, where variations in operating conditions strongly affect arc stability, temperature distribution, and energy transfer. Accurate modeling of these phenomena typically requires computationally expensive high-fidelity simulations. This study presents a hierarchy of three arc discharge models with progressively reduced physical fidelity. The high-fidelity model provides a fully physics-resolved reference, the reduced-order model reproduces the dominant thermal and flow characteristics of the arc with reasonable accuracy, and the Elenbaas-Heller model captures key trends in a simplified, rapid formulation. This hierarchy demonstrates that reduced-order model can effectively balance predictive fidelity and computational efficiency, providing practical tools for arc simulation and parametric studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Generalized master equation for particle transport in binary random media with renewal statistics

Particle transport in binary stochastic mixtures is classically modeled assuming Markovian or exponential mixing statistics but in many applications material memory invalidates the Markov assumption. For non-Markovian mixing characterized by alternating renewal processes, a transport-theoretic framework is presented that provides an exact description of transport in nonscattering random binary media with general non-exponential statistics. Our approach is to Markovianize the problem by augmenting the {material type, particle flux} state space with the age or distance from the last interface. A Chapman-Kolmogorov equation is formulated for the joint probability density of the material type, particle flux, and age, and subsequently reduced to a generalized Master equation (GME) in differential form. This constitutes the primary result of this work. A state-updating Monte Carlo algorithm consistent with the GME is developed and benchmarked against analytical solutions for multiple chord-length laws. For purely absorbing renewal statistical media, the GME reproduces analytical benchmarks for the equilibrium age distribution, interior mean/variance of material-conditioned fluxes, and boundary transmittance. Simulations further demonstrate that a Markov (exponential) approximation of non-exponential statistics can introduce large errors in transmittance and interior flux profiles. Lastly, the reintroduction of memory due to scattering is briefly addressed through heuristic considerations.

Fluctuations & noise↗

DOE OSTI2025

Optimization-Based Dynamic Voltage Support of Microgrids Using Energy Storage Systems

A microgrid network is characterized by a high R/X ratio, making the voltage more sensitive to active power changes compared to bulk power systems, where the voltage is regulated primarily by reactive power. Due to its sensitivity, voltage control approaches for microgrids should also consider the active power input coupling, making it very different from conventional power systems. Additionally, as the energy costs associated with active and reactive powers are different and the operational conditions of microgrids connected to active distribution systems vary over time, the ideal controller to provide voltage support must be flexible enough to handle these technical and operational constraints. This paper proposes a model predictive control approach to provide dynamic voltage support using energy storage systems. This approach uses a simplified predictive model of the system to solve the model predictive control problem. By proper selection of model predictive control weighting parameters, the quality of service provided can be adjusted to achieve the desired performance. A simulation study in MATLAB/Simulink validates the proposed approach for the Cordova, Alaska microgrid. Results show that the performance of the voltage support can be adjusted depending on the choice of weight and constraints of the controller.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

On the Impact of High-Order Harmonic Generation in Electrical Distribution Systems

The modern power grid has seen a rise in the integration of non-linear loads, presenting a significant concern for operators. These loads introduce unwanted harmonics, leading to potential issues such as overheating and improper functioning of circuit breakers. In pursuing a more sustainable grid, the adoption of electric vehicles (EVs) and photovoltaic (PV) systems in residential networks has increased. Understanding and examining the effects of high-order harmonic frequencies beyond $1.5$ kHz is crucial to understanding their impact on the operation and planning of electrical distribution systems under varying nonlinear loading conditions. This study investigates a diverse set of critical power electronic loads within a household modeled using PSCAD/EMTdc, analyzing their unique harmonic spectra. This information is utilized to run the time-series harmonic analysis program in OpenDSS on a modified IEEE 34 bus test system model. The impact of high-order harmonics is quantified using metrics that evaluate total harmonic distortion (THD), transformer harmonic-driven eddy current loss component, and propagation of harmonics from the source to the substation transformer.

Peerzada, Aaqib A. [BATTELLE (PACIFIC NW LAB)]↗

DOE OSTI2024

Modelling of cracking during beam oscillation laser welding of a creep-resistant nickel alloy

During high power laser welding of Inconel 740H, horizontal solidification cracks form at locations between approximately 70–80% of the weld depth. With the integration of circular beam oscillation, the laser energy density distribution and underlying thermo-mechanical conditions were altered. By coupling three-dimensional heat transfer, fluid flow, and stress modelling tools, the role that circular beam oscillation plays in the formation of the strain rates and stresses driving this cracking phenomenon was identified. While the addition of a circular oscillation pattern appeared to lower the stress levels along the solidification front, it did not eliminate the appearance of horizontal cracking. Only when the beam amplitudes reached 1.6 mm did solidification cracking disappear, but the weld depths were also significantly reduced.

Gao, Mingze↗