Results for “conditional generative models” — Page 40

DOE OSTI2026

Structure prediction of porous organic crystals

In this work, we explore the possibility of applying automated crystal structure prediction to reproduce the experimentally identified metastable porous polymorphs. Using our recently developed High-Throughput Organic Crystal Structure Prediction ( HTOCSP ) framework, we conducted a systematic study on five representative organic crystalline systems including hydrogen-bonded frameworks (HOFs), featured by the presence of significant porosity, in conjunction with different choices of energy models from classical, machine learning force fields, tight binding to density functional theory. Our results suggest that the current structure generation framework, with careful selection of symmetry conditions, is likely to generate rather complex and abundant metastable crystal candidates for porous crystals. In conjunction with the recent advance in universal machine learning force fields, it becomes possible to identify experimental structures as the energetically favorable candidates from a simple energy versus density analysis, thus paving the way for computational design of complex porous materials with the target systems prior to the experimental synthesis and characterization.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Diurnal evolution of non-precipitating marine stratocumuli in a large-eddy simulation ensemble

Abstract. We explore the cloud system evolution of non-precipitating marine stratocumuli with a focus on the impacts of the diurnal cycle and free-tropospheric (FT) humidity based on an ensemble of 244 large-eddy simulations generated by perturbing initial thermodynamic profiles and aerosol conditions. Cases are categorized based on their degree of decoupling and the cloud liquid water path (LWPc, based on model columns with cloud optical depths greater than one). A budget analysis method is proposed to analyze the evolution of cloud water in both coupled and decoupled boundary layers. More coupled clouds start with a relatively low LWPc and cloud fraction (fc) but experience the least decrease in LWPc and fc during the daytime. More decoupled clouds undergo greater daytime reduction in LWPc and fc, especially those with higher LWPc at sunrise because they suffer from faster weakening of net radiative cooling. During the nighttime, a positive correlation between FT humidity and the LWPc emerges, consistent with higher FT humidity reducing both radiative cooling and the humidity jump, both of which reduce entrainment and increase LWPc. The LWPc is more likely to decrease during the nighttime for a larger LWPc and greater inversion base height (zi), conditions under which entrainment dominates as turbulence develops. In the morning, the rate of the LWPc reduction depends on the LWPc at sunrise, zi, and the degree of decoupling, with distinct contributions from subsidence and radiation.

Chen, Yao-Sheng (ORCID:0000000208354132)↗

NASA NTRS1986

A study of the relationship among wind speed, sea state, and the drag coefficient for a developing wave field

Controlled laboratory experiments are reported which demonstrate directly and quantitatively the influence of wave conditions in determining the drag law at the air-sea interface under neutral stability conditions. It is concluded that the analytic form first proposed by Kitaigorodskii (1970) models the roughness scale very well when the sea is dominated by the locally generated waves. It is demonstrated that, by using a unified two-parameter wave spectral model by Huang et al. (1981), Kitaigorodskii's result can be shown to contain the formulas of Charnock (1955) and Hsu (1974) as special cases. The results also identify two wind and wave-related parameters as important in determining the drag coefficient for developing wave fields.

Huang, N. E.↗

NASA NTRS1991

A new technique for simulating composite material

This project dealt with the development on new methodologies and algorithms for the multi-spectrum electromagnetic characterization of large scale nonmetallic airborne vehicles and structures. A robust, low memory, and accurate methodology was developed which is particularly suited for modern machine architectures. This is a hybrid finite element method that combines two well known numerical solution approaches. That of the finite element method for modeling volumes and the boundary integral method which yields exact boundary conditions for terminating the finite element mesh. In addition, a variety of high frequency results were generated (such as diffraction coefficients for impedance surfaces and material layers) and a class of boundary conditions were developed which hold promise for more efficient simulations. During the course of this project, nearly 25 detailed research reports were generated along with an equal number of journal papers. The reports, papers, and journal articles are listed in the appendices along with their abstracts.

Volakis, John L.↗

NASA NTRS2001

Effect of Marangoni Convection Generated by Voids on Segregation During Low-G and 1-G Solidification

Solidification experiments, especially microgravity solidification experiments, are often compromised by the evolution of unwanted voids or bubbles in the melt. Although these voids and/or bubbles are highly undesirable, there is currently no effective means of preventing their formation or of eliminating their adverse effects, particularly during microgravity experiments. Marangoni convection caused by these voids can drastically change the transport processes in the melt. Recent microgravity experiments by Matthiesen (1) Andrews (2) and Fripp (3) are perfect examples of how voids and bubbles can affect the outcome of costly space experiments and significantly increase the level of difficulty in interpreting their results. Formation of bubbles have caused problems in microgravity experiments for a long time. Even in the early Skylab mission an unexpectedly large number of bubbles were detected in the four materials processing experiments reported by Papazian and Wilcox (4). They demonstrated that while during ground-based tests bubbles were seen to detach from the interface easily and float to the top of the melt, in low-gravity tests no detachment from the interface occurred and large voids were grown in the crystal. More recently, the lead-tin-telluride crystal growth experiment of Fripp et al.(3) flown aboard the USMP-3 mission has provided very interesting results. The purpose of the study was to investigate the effect of natural convection on the solidification process by growing the samples at different orientations with respect to the gravitational field. Large pores and voids were found in the three solid crystal samples processed in space. Post-growth characterization of the compositional profiles of the cells indicated considerable levels of mixing even in the sample grown in the hot-on-top stable configuration. The mixing was attributed to thermocapillary convection caused by the voids and bubbles which evolved during growth. Since the thermocapillary convection is orientation-independent, diffusion-controlled growth was not possible in any of the samples, even the top-heated one. These results are consistent with recent studies of thermocapillary convection generated by a bubble on a heated surface undertaken by Kassemi and Rashidnia (5-7) where it is numerically and experimentally shown that the thermocapillary flow generated by a bubble in a model fluid (silicone oil) can drastically modify the temperature field through vigorous mixing of the fluid around it, especially under microgravity conditions.

Kassemi, M.↗

NASA NTRS2011

Measurement of Phased Array Point Spread Functions for Use with Beamforming

Microphone arrays can be used to localize and estimate the strengths of acoustic sources present in a region of interest. However, the array measurement of a region, or beam map, is not an accurate representation of the acoustic field in that region. The true acoustic field is convolved with the array s sampling response, or point spread function (PSF). Many techniques exist to remove the PSF's effect on the beam map via deconvolution. Currently these methods use a theoretical estimate of the array point spread function and perhaps account for installation offsets via determination of the microphone locations. This methodology fails to account for any reflections or scattering in the measurement setup and still requires both microphone magnitude and phase calibration, as well as a separate shear layer correction in an open-jet facility. The research presented seeks to investigate direct measurement of the array's PSF using a non-intrusive acoustic point source generated by a pulsed laser system. Experimental PSFs of the array are computed for different conditions to evaluate features such as shift-invariance, shear layers and model presence. Results show that experimental measurements trend with theory with regard to source offset. The source shows expected behavior due to shear layer refraction when observed in a flow, and application of a measured PSF to NACA 0012 aeroacoustic trailing-edge noise data shows a promising alternative to a classic shear layer correction method.

Bahr, Chris↗

NASA NTRS2017

Validation Testing of a Peridynamic Impact Damage Model Using NASA's Micro-Particle Gun

Through a collaborative effort between the Virginia Commonwealth University and Raytheon, a peridynamic model for sand impact damage has been developed1-3. Model development has focused on simulating impacts of sand particles on ZnS traveling at velocities consistent with aircraft take-off and landing speeds. The model reproduces common features of impact damage including pit and radial cracks, and, under some conditions, lateral cracks. This study focuses on a preliminary validation exercise in which simulation results from the peridynamic model are compared to a limited experimental data set generated by NASA's recently developed micro-particle gun (MPG). The MPG facility measures the dimensions and incoming and rebound velocities of the impact particles. It also links each particle to a specific impact site and its associated damage. In this validation exercise parameters of the peridynamic model are adjusted to fit the experimentally observed pit diameter, average length of radial cracks and rebound velocities for 4 impacts of 300 μm glass beads on ZnS. Results indicate that a reasonable fit of these impact characteristics can be obtained by suitable adjustment of the peridynamic input parameters, demonstrating that the MPG can be used effectively as a validation tool for impact modeling and that the peridynamic sand impact model described herein possesses not only a qualitative but also a quantitative ability to simulate sand impact events.

Baber, Forrest E.↗

DOE OSTI2025

Model America - 2022 Arizona Building Energy Simulation Results from ORNL's AutoBEM

This dataset contains energy simulation outputs using ORNL's AutoBEM, covering the summer months (June 1st to August 31st) (named by "county_name.csv") and full-year periods (in output_all_year.zip) for each county in Arizona, USA. The data package includes simulation results such as basic energy metrics and anthropogenic emissions estimates. Files are provided in .csv. These data were generated to analyze the impact of weather conditions on energy use and emissions across urban and rural environments in Arizona, aiming to support research on urban heat islands, energy efficiency, and building retrofitting strategies. The source data for this work include NASA POWER weather datasets and computational models run using AutoBEM (i.e., an automated, large-scale energy simulation tool leveraging OpenStudio/EnergyPlus). This dataset can assist researchers, urban planners, and policymakers in developing climate-resilient energy systems and understanding anthropogenic contributions to local environments.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1996

Modeling of Sound Transmission through Shell Structures with Turbulent Boundary Layer Excitation

The turbulent boundary layer (TBL) pressure field is an important source of cabin noise during cruise of high subsonic and supersonic commercial aircraft. The broadband character of this excitation field results in an interior noise spectrum that dominates the overall sound pressure level (SPL) and speech interference metrics in the forward and midcabins of many aircraft. In the authors' previous study, sound transmission through an aircraft fuselage, modeled by two concentric cylindrical sandwich shells and excited by a TBL statistical model was investigated analytically. An assessment of point and global structural vibration levels and resulting interior noise levels was obtained for different TBL models, flight conditions and fuselage structural designs. However, due to the complication of the shell structure, the important noise transmission mechanisms were difficult to discern. Previous experience has demonstrated that a fundamental understanding of the range of modes (or wavenumbers) generated by the TBL source both in the structure and the acoustic cavity is key to the development of both active and passive control technologies. In an initial effort to provide this insight, the objective of this paper is to develop an analytical model of sound transmission through a simple unstiffened cylindrical aluminum shell excited by a TBL pressure field. The description of the turbulent pressure field is based on the Corcos formulation for the cross-spectral density (CSD) of the pressure fluctuations. The coupled shell and interior and exterior acoustic equations are solved for the structural displacement and the interior acoustic response using a Galerkin approach to obtain analytical solutions. Specifically, this study compares the real part of the normalized CSD of the TBL excitation field, the structural displacement and the interior acoustic field. Further the modal compositions of the structural and cavity response are examined and some inference of the dominant mechanism of noise transmission is made.

Tang, Yvette Y.↗

NASA NTRS2022

Microstructure Segmentation with Deep Learning Encoders Pre-Trained on a Large Microscopy Dataset

This study examined the improvement of microscopy segmentation accuracy by transfer learning from a large dataset of microscopy images called MicroNet. Many neural network encoder architectures, including VGG, Inception, and ResNet, were trained on over 100,000 labelled microscopy images from 54 classes. These pre-trained encoders were then embedded into multiple segmentation architectures including U-Net and DeepLabV3+ to evaluate segmentation performance on newly created benchmark microscopy datasets. Compared to ImageNet pre-training, models pre-trained on MicroNet generalized better to out-of-distribution micrographs taken under different imaging and sample conditions and were more accurate with less training data. When training with only a single Ni-superalloy image, pre-training on MicroNet produced a 72.2 percent reduction in relative segmentation error. These results suggest that transfer learning from large in-domain datasets generate models with learned feature representations that are more useful for downstream tasks and will likely improve any microscopy image analysis technique that can leverage pre-trained encoders.

machine learning↗

DOE OSTI2025

Predictive Modeling and Uncertainty Quantification in Condition Monitoring of Active Components: A Reactor Coolant Pump Use Case

This work develops data-driven models for onset of thermal barrier leakage in reactor coolant pumps. It incorporates uncertainty quantification to enhance the reliability and robustness of pre- dictions. Using synthetic data generated by the Generic Pressurized Water Reactor simulator, realistic degradation scenarios were simulated across lifecycle stages—beginning, middle, and end of life. Key variables, including differential pressure, flow rate, vibration, and temperatures, were analyzed using machine learning framework. The fully connected neural network models demonstrated exceptional performance, achieving R2 scores exceeding 0.99 and root mean square errors as low as around 8.23 × 10-2 gallon per minute (gpm) for the three stages of the lifecy- cle. UQ analysis further validated the model’s robustness, with narrow uncertainty bounds during steady-state operations and appropriately wider bounds during transitional phases, reflecting the physical behavior of the system. This work addresses important gaps in real-time condition moni- toring and regulatory compliance by integrating advanced condition monitoring technologies with UQ into IST programs. The ability to detect thermal barrier leakage early and quantify prediction reliability supports optimizing maintenance strategies while ensuring nuclear power plants’ safe and reliable operation.

99 - GENERAL AND MISCELLANEOUS↗

NASA NTRSDate not supplied

Description of Cloud Characterization and Icing Test for a 3D Heated Test Article at the NASA Icing Research Tunnel

This paper describes the cloud characterization and icing tests conducted with a 3D heated test article in Winter/Spring 2022 at the NASA Icing Research Tunnel. The intent is to present analyzed results from these recently conducted tests in a future technical paper. The test article, whose geometry is representative of an inter-compressor duct and strut region of a turbofan engine, has been designed and constructed to study the physics of supercooled water icing and ice crystal icing. The surfaces of the Simulated Inter-compressor Duct Research Model (SIDRM) can be heated to simulate the warm surfaces of the turbofan inter-compressor duct. The test article is instrumented with heaters, heat flux gauges, and thermocouples, while a 3D laser scanner, cameras, a scale to measure ice mass, and other instruments will aid in characterizing the icing behavior. The aim of these tests is to generate ice accretions on the SIDRM test article under well-characterized conditions. To that end, a suite of instruments was utilized to characterize the ice crystal clouds at the test section in a separate test series. The icing measurements collected during the SIDRM model tests will be used to develop and validate 3D computational engine icing tools, such as GlennICE, that predictively assess the onset and growth of ice. One of the goals of the sponsoring NASA project is to develop simulation models and tools that can assist in the design and certification of engines for flight in icing conditions in a cost effective way.

Ice crystal icing↗

NASA NTRSDate not supplied

Description of Cloud Characterization and Icing Tests for a 3D Heated Test Article at the NASA Icing Research Tunnel

This paper describes the cloud characterization and icing tests conducted with a 3D heated test article in Winter/Spring 2022 at the NASA Icing Research Tunnel. The intent is to present analyzed results from these recently conducted tests in a future technical paper. The test article, whose geometry is representative of an inter-compressor duct and strut region of a turbofan engine, has been designed and constructed to study the physics of supercooled water icing and ice crystal icing. The surfaces of the Simulated Inter-compressor Duct Research Model (SIDRM) can be heated to simulate the warm surfaces of the turbofan inter-compressor duct. The test article is instrumented with heaters, heat flux gauges, and thermocouples, while a 3D laser scanner, cameras, a scale to measure ice mass, and other instruments will aid in characterizing the icing behavior. The aim of these tests is to generate ice accretions on the SIDRM test article under well-characterized conditions. To that end, a suite of instruments was utilized to characterize the ice crystal clouds at the test section in a separate test series. The icing measurements collected during the SIDRM model tests will be used to develop and validate 3D computational engine icing tools, such as GlennICE, that predictively assess the onset and growth of ice. One of the goals of the sponsoring NASA project is to develop simulation models and tools that can assist in the design and certification of engines for flight in icing conditions in a cost effective way.

Ice crystal icing, heated test article, engine ici↗

NASA NTRS2005

Automated Conflict Resolution For Air Traffic Control

The ability to detect and resolve conflicts automatically is considered to be an essential requirement for the next generation air traffic control system. While systems for automated conflict detection have been used operationally by controllers for more than 20 years, automated resolution systems have so far not reached the level of maturity required for operational deployment. Analytical models and algorithms for automated resolution have been traffic conditions to demonstrate that they can handle the complete spectrum of conflict situations encountered in actual operations. The resolution algorithm described in this paper was formulated to meet the performance requirements of the Automated Airspace Concept (AAC). The AAC, which was described in a recent paper [1], is a candidate for the next generation air traffic control system. The AAC's performance objectives are to increase safety and airspace capacity and to accommodate user preferences in flight operations to the greatest extent possible. In the AAC, resolution trajectories are generated by an automation system on the ground and sent to the aircraft autonomously via data link .The algorithm generating the trajectories must take into account the performance characteristics of the aircraft, the route structure of the airway system, and be capable of resolving all types of conflicts for properly equipped aircraft without requiring supervision and approval by a controller. Furthermore, the resolution trajectories should be compatible with the clearances, vectors and flight plan amendments that controllers customarily issue to pilots in resolving conflicts. The algorithm described herein, although formulated specifically to meet the needs of the AAC, provides a generic engine for resolving conflicts. Thus, it can be incorporated into any operational concept that requires a method for automated resolution, including concepts for autonomous air to air resolution.

Erzberger, Heinz↗

DOE OSTI2026

Organic Rankine Cycle Integration and Optimization for High Efficiency CHP Genset Systems (Final Technical Report)

This project successfully advanced the integration of Organic Rankine Cycle (ORC) technology with reciprocating engine–based combined heat and power (CHP) systems to improve electrical efficiency, total CHP efficiency, and grid-responsive operation. Over three budget periods, the work progressed from high-temperature ORC component development and thermodynamic model validation to next-generation system design, working fluid transition, and techno-economic analysis. Key technical accomplishments include development and validation of a thermodynamic model capable of accurately predicting ORC performance across an expanded temperature and pressure envelope; successful identification and validation of low-global-warming-potential (GWP) working fluids—most notably R1233zd(E)—as viable replacements for R245fa; and demonstration of scalable ORC architectures suitable for integration with 1–20 MW class reciprocating engines. These advances enable flexible CHP configurations that can increase electrical output while maintaining high overall utilization of available thermal energy. The project also produced a clean-sheet design for a next-generation ORC system targeting substantially higher power output per unit, supported by detailed component selection, heat exchanger evaluation, and system-level modeling. Techno-economic analyses indicate that ORC-enabled flexible CHP systems can meet or exceed Department of Energy (DOE) efficiency targets while providing value to both facility operators and the electric grid.. Late-stage testing of the largest next-generation ORC prototype identified limitations related to pump net positive suction head (NPSH) requirements and condenser flooding under certain operating conditions. Although these issues constrained full validation of that configuration within the project timeframe, they provided clear and actionable design guidance for future system refinements. Importantly, validated modeling, smaller-scale testing, and working fluid evaluations confirmed the technical viability of the overall approach. In aggregate, this project met its core objectives by establishing validated design tools, de-risking key ORC technologies for CHP applications, and defining a credible pathway toward commercialization of flexible, high-efficiency CHP systems. The results form a strong foundation for continued development and deployment beyond the conclusion of the DOE-funded effort.

20 FOSSIL-FUELED POWER PLANTS↗

NASA NTRSDate not supplied

Uncertainty Quantification of Inducer Natural Frequency using Conditional Assessment of Modeling and Modal Testing of Simpler Systems

The low pressure fuel pump inducer of the new Space Launch System RS25 core stage engine operates in a highly complex environment that substantially affects its modal characteristics. Some of the more important effects are fluid-added mass resulting from operation within a light liquid (Hydrogen), and the magnification of this effect due to tight tip clearance. Since higher order cavitation has been identified as a significant harmonic driver, knowledge of the natural frequency of potentially excitable modes is critical for safe operation, but this frequency cannot be measured during the severe operational environment. A comprehensive testing and analysis program has therefore been performed over the last four years to identify the nominal value and uncertainty of the frequency by modeling and testing four simpler structures which share some of the characteristics of the operational inducer. This testing was used to assess and adjust modeling techniques and excellent correlation was achieved. Identification of the uncertainty in the inducer frequency itself was still problematic, however. This difficulty led to an investigation of Bayesian uncertainty quantification techniques, and to the application of the relatively simple technique of Multi-Variate Normal conditional distributions to calculate the inducer natural frequency uncertainty. Assumptions on prior distributions of uncertainty of the fluid-added mass and tip clearance effect are initially applied to models of each of the simple structures and the inducer itself, and these uncertainties are propagated to generate natural frequencies using design of experiments. Simple response surfaces are then created from this data in order to calculate a Covariance Matrix relating all of these natural frequencies. Finally, the results from modal test of the simple structures are considered to be observations and used to calculate the conditional variance of the desired inducer frequencies. As this method is less rigorous than more complicated Bayesian methods reported in the literature, a conservative factor is applied to the result, but the resulting uncertainty is still significantly less than originally estimated and will greatly assist certification of the inducer for use in the engine.

Uncertainty Quantification↗

NASA NTRSDate not supplied

Uncertainty Quantification of Inducer Eigenvalues using Conditional Assessment of Models and Modal Test of Simpler Systems

The low pressure fuel pump inducer of the new Space Launch System RS25 core stage engine operates in a highly complex environment that substantially affects its modal characteristics. Some of the more important effects are fluid-added mass resulting from operation within a light liquid (Hydrogen), and the magnification of this effect due to tight tip clearance. Since higher order cavitation has been identified as a significant harmonic driver, knowledge of the natural frequency of potentially excitable modes is critical for safe operation, but this frequency cannot be measured during the severe operational environment. A comprehensive testing and analysis program has therefore been performed over the last four years to identify the nominal value and uncertainty of the frequency by modeling and testing four simpler structures which share some of the characteristics of the operational inducer. This testing was used to assess and adjust modeling techniques and excellent correlation was achieved. Identification of the uncertainty in the inducer frequency itself was still problematic, however. This difficulty led to an investigation of Bayesian uncertainty quantification techniques, and to the application of the relatively simple technique of Multi-Variate Normal conditional distributions to calculate the inducer natural frequency uncertainty. Assumptions on prior distributions of uncertainty of the fluid-added mass and tip clearance effect are initially applied to models of each of the simple structures and the inducer itself, and these uncertainties are propagated to generate natural frequencies using design of experiments. Simple response surfaces are then created from this data in order to calculate a Covariance Matrix relating all of these natural frequencies. Finally, the results from modal test of the simple structures are considered to be observations and used to calculate the conditional variance of the desired inducer frequencies. As this method is less rigorous than more complicated Bayesian methods reported in the literature, a conservative factor is applied to the result, but the resulting uncertainty is still significantly less than originally estimated and will greatly assist certification of the inducer for use in the engine.

Uncertainty Quantification↗

NASA NTRS2000

High-order Two-way Artificial Boundary Conditions for Nonlinear Wave Propagation with Backscattering

When solving linear scattering problems, one typically first solves for the impinging wave in the absence of obstacles. Then, by linear superposition, the original problem is reduced to one that involves only the scattered waves driven by the values of the impinging field at the surface of the obstacles. In addition, when the original domain is unbounded, special artificial boundary conditions (ABCs) that would guarantee the reflectionless propagation of waves have to be set at the outer boundary of the finite computational domain. The situation becomes conceptually different when the propagation equation is nonlinear. In this case the impinging and scattered waves can no longer be separated, and the problem has to be solved in its entirety. In particular, the boundary on which the incoming field values are prescribed, should transmit the given incoming waves in one direction and simultaneously be transparent to all the outgoing waves that travel in the opposite direction. We call this type of boundary conditions two-way ABCs. In the paper, we construct the two-way ABCs for the nonlinear Helmholtz equation that models the laser beam propagation in a medium with nonlinear index of refraction. In this case, the forward propagation is accompanied by backscattering, i.e., generation of waves in the direction opposite to that of the incoming signal. Our two-way ABCs generate no reflection of the backscattered waves and at the same time impose the correct values of the incoming wave. The ABCs are obtained for a fourth-order accurate discretization to the Helmholtz operator; the fourth-order grid convergence is corroborated experimentally by solving linear model problems. We also present solutions in the nonlinear case using the two-way ABC which, unlike the traditional Dirichlet boundary condition, allows for direct calculation of the magnitude of backscattering.

Fibich, Gadi↗