SEARCH · Search NASA

Results for “high-performance data analytics”

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 55 records · Page 3

All sources NASA NTRS DOE OSTI

DOE OSTI2026

A scalable framework for efficient coupling of thermal and microstructural simulations in additive manufacturing

Predicting microstructure evolution in metal additive manufacturing (AM) is important for process optimization, but spatiotemporal scale disparities between thermal transport and microstructure evolution create significant challenges for efficient data transfer between simulation codes. To address this, we present Stork, a scalable framework for coupling thermal and microstructural simulations. Stork uses a sparse data representation to identify and store active solidification sub-volumes, enabling highly parallel quad-linear interpolation from coarse thermal grids to fine microstructure grids without large intermediate storage. We demonstrate the framework by coupling the semi-analytic heat transfer code 3DThesis with the time-parallel cellular automata code Toucan. This approach achieves over two orders of magnitude reduction in data generation time and file size compared to prior workflows. Numerical studies show that quad-linear interpolation preserves grain morphology and crystallographic texture in laser powder bed fusion (LPBF) simulations for coarsening ratios up to 16. Overall, Stork provides a scalable pathway for high-throughput, component-scale AM simulations on modern high-performance computing systems.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Holistic energy analysis method for thermal management architectures of data centers

Modern high-performance computing (HPC) data centers (DCs), particularly those supporting energy-intensive artificial intelligence (AI) workloads, face escalating thermal management challenges that degrade performance through thermal throttling and drive up cooling power consumption and operational costs. To address this challenge, many have developed a wide variety of thermal management solutions (single-phase, two-phase, direct, indirect, hybrid, and more) which attempt to cool HPC DCs effectively while attempting to minimize overall system power consumption. However, the analysis of these solutions and methods to effectively compare one with another is lacking. Overall power usage effectiveness (PUE) and total-power usage effectiveness (TUE) provide a metric to quantify power consumption but fail to identify components in the system which require further optimization. To address this, we propose a holistic analytical framework – the waterfall diagram (WFD) – which leverages a waterfall chart methodology, offering a comprehensive visualization of both the thermal management system loop and heat flow pathways from individual server components to the outdoor ambient. Use of the WFD enables graphical estimations of power efficiency and cooling performance across each component of a DC cooling system and complements Sankey-style energy flow visualizations by additionally resolving stage-wise temperature changes and incremental TUE contributions. The framework is used in conjunction with simulation-based approaches, to conduct a detailed pressure drop and flow distribution analysis aimed at identifying the optimal coolant distribution architecture for a single-phase direct-to-chip water-cooled DC, which serves as the baseline for subsequent WFD analysis. Among the evaluated architectures, the 3 U modular coolant distribution architecture is found to demonstrate the best performance, considering minimal pressure drop and uniform flow distribution. In addition, TUE is calculated for each cooling loop component based on its associated pressure drop and corresponding pumping power, which are integrated into the WFD. This correlation between TUE and local temperature offers immediate insight into the power efficiency and thermal performance contributions of individual components, facilitating further development and optimization. Examples of WFD applications are presented under varying thermal loads and ambient conditions, demonstrating reasonable cooling strategies. Notably, the 3 U modular architecture maintains a consistent chip case temperature of 85°C, achieving a TUE of 1.016 at ambient temperature of 47°C, and a TUE of 1.026 at ambient temperature of 52°C. The WFD methodology provides an efficient, holistic, and streamlined framework for DC thermal management architecture assessment and enables design optimization which is important for addressing the thermal-fluidic energy challenges of current and next-generation DCs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing Units

Here, this Letter introduces excited-state molecular dynamics in PYSEQM, a GPU-accelerated semiempirical quantum chemistry engine implemented in PyTorch. The new module enables Born–Oppenheimer molecular dynamics (BOMD) using configuration-interaction singles and random phase approximation for excited states, allowing long trajectories and large statistical ensembles to be simulated efficiently on a single GPU. We also implement an extended Lagrangian excited-state BOMD (XL-ESMD) scheme that propagates auxiliary electronic variables, enabling relaxed ground and excited-state convergence thresholds without compromising energy conservation. The excited-state BOMD implementation scales smoothly from small chromophores to a nearly 900-atom dendrimer (taking 6.5 s per MD step). PYSEQM also supports batched execution, allowing many geometries or trajectories to be evaluated in a single GPU launch, substantially increasing throughput and making ensemble-based protocols routine. As a demonstration, we compute absorption, emission, and infrared spectra from trajectories propagated on the ground and first excited states. The XL-ESMD scheme yields identical spectra at significantly lower computational cost, establishing the role of extended Lagrangian based dynamics for efficient excited-state BOMD simulations. Beyond raw performance, PYSEQM’s PyTorch foundation provides automatic differentiation for forces, efficient GPU batching, and seamless interfacing with machine learning models. These capabilities position PYSEQM as a practical platform for machine learning-augmented excited-state dynamics and lay the foundation for future data-driven nonadiabatic excited-state dynamics modeling of ultrafast spectroscopic probes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A Performance Model of In-Situ Techniques

The computational capacity of High-Performance Computing (HPC) systems increases continuously with the rapid development of central processing units (CPUs) and graphic processing units (GPUs), while the in-/output (IO) subsystem develops relatively slowly and storage capacity is also limited. Data-intensive applications, which are designed to leverage the high computational capacity of HPC resources, typically generate a considerable amount of data for post-processing visualizations and data analytics. The limited IO speed and storage space could lead to constraints in the actual performance of these applications and, therefore, scientific discovery. In-situ techniques, where data is visualized/analysed while still in memory rather than through disk, can contribute to alleviating these problems as they can reduce or even fully avoid data writing/reading through the IO subsystem to/from storage. However, the overall efficiency of insitu techniques crucially depends on the characteristics of both the in-situ tasks and the applications, and the resource distribution among them. Therefore, choosing the right in-situ approach (synchronous, asynchronous, or hybrid) and resource allocation is essential to minimize overhead and maximize the benefits of concurrent execution. In this paper, we present a performance model of in-situ techniques to find the most beneficial in-situ approach and the preferred resource configuration. We verify the high accuracy of our approach with over 6800 measurements and provide use cases with different applications.

Ju, Yi [Max Planck Computing and Data Facility, Ga↗

DOE OSTI2025

A high-throughput experimentation platform for data-driven discovery in electrochemistry

Automating electrochemical analyses combined with artificial intelligence is poised to accelerate discoveries in renewable energy sciences and technologies. This study presents an automated high-throughput electrochemical characterization (AHTech) platform as a cost-effective and versatile tool for rapidly assessing liquid analytes. The Python-controlled platform combines a liquid handling robot, potentiostat, and customizable microelectrode bundles for diverse, reproducible electrochemical measurements in microtiter plates, minimizing chemical consumption and manual effort. To showcase the capability of AHTech, we screened a library of 180 small molecules as electrolyte additives for aqueous zinc metal batteries, generating data for training machine learning models to predict Coulombic efficiencies. Key molecular features governing additive performance were elucidated using Shapley Additive exPlanations and Spearman’s correlation, pinpointing high-performance candidates like cis-4-hydroxy-d-proline, which achieved an average Coulombic efficiency of 99.52% over 200 cycles. The workflow established herein is highly adaptable, offering a powerful framework for accelerating the exploration and optimization of extensive chemical spaces across diverse energy storage and conversion fields.

Lin, Dian-Zhao [Johns Hopkins University, Baltimor↗

DOE OSTI2026

Cooperative Education

Los Alamos National Laboratory (LANL) is a multidisciplinary national laboratory that conducts research and development in national security, engineering, materials science, computational modeling, and advanced manufacturing. The laboratory develops innovative technologies to address complex scientific and engineering challenges. This project focuses on the development and evaluation of high-performance absorbing structures through computational design, simulation, and engineering analysis. Absorbing structures are used in applications where damage mitigation, structural protection, and material efficiency are critical performance requirements. The increasing demand for lightweight, high-strength, and highly efficient structural systems has created a need for improved design methodologies capable of maximizing absorption while minimizing weight and material usage. The project utilizes advanced engineering software, including 3D CAD software and FEA, to generate and optimize structural concepts. Computational simulations are performed to evaluate structural behavior under loading conditions, while mathematical analyses are conducted using Python-based tools as well as established analytical equations from material and structural mechanics. The project benefits LANL by supporting the development of advanced design methodologies and improving the understanding of material and structural performance. During the internship term, a significant portion of the design development, simulation, and data analysis activities will be completed. Success of the project depends on collaboration among engineering mentors and technical staff members. Work will be conducted at Los Alamos National Laboratory using laboratory computing resources and engineering software.

42 ENGINEERING↗

NASA NTRS1975

Propulsion-induced interference effects on jet-lift VTOL aircraft

Recent investigations of propulsion-induced aerodynamics are reviewed. Experimental and analytical studies of the fundamental properties of lifting jet wakes and wind-tunnel investigations of VTOL configuration variables are discussed. The jet-wake flow studies will provide the data base for evaluating theoretical performance prediction methods; while the configuration studies will provide guidance for optimizing airframe/propulsion system integration. The influence of results to date on high-performance VTOL designs emphasizing minimum jet-induced losses and improved thrust vectoring in forward flight (VIFF) capability is illustrated.

Winston, M. M.↗

NASA NTRS1980

High-performance heat pipes for heat recovery applications

Methods to improve the performance of reflux heat pipes for heat recovery applications were examined both analytically and experimentally. Various models for the estimation of reflux heat pipe transport capacity were surveyed in the literature and compared with experimental data. A high transport capacity reflux heat pipe was developed that provides up to a factor of 10 capacity improvement over conventional open tube designs; analytical models were developed for this device and incorporated into a computer program HPIPE. Good agreement of the model predictions with data for R-11 and benzene reflux heat pipes was obtained.

Saaski, E. W.↗

NASA NTRS1987

Fracture mechanics concepts in reliability analysis of monolithic ceramics

Basic design concepts for high-performance, monolithic ceramic structural components are addressed. The design of brittle ceramics differs from that of ductile metals because of the inability of ceramic materials to redistribute high local stresses caused by inherent flaws. Random flaw size and orientation requires that a probabilistic analysis be performed in order to determine component reliability. The current trend in probabilistic analysis is to combine linear elastic fracture mechanics concepts with the two parameter Weibull distribution function to predict component reliability under multiaxial stress states. Nondestructive evaluation supports this analytical effort by supplying data during verification testing. It can also help to determine statistical parameters which describe the material strength variation, in particular the material threshold strength (the third Weibull parameter), which in the past was often taken as zero for simplicity.

Manderscheid, Jane M.↗

NASA NTRS1987

Computer architecture for efficient algorithmic executions in real-time systems: New technology for avionics systems and advanced space vehicles

Improvements and advances in the development of computer architecture now provide innovative technology for the recasting of traditional sequential solutions into high-performance, low-cost, parallel system to increase system performance. Research conducted in development of specialized computer architecture for the algorithmic execution of an avionics system, guidance and control problem in real time is described. A comprehensive treatment of both the hardware and software structures of a customized computer which performs real-time computation of guidance commands with updated estimates of target motion and time-to-go is presented. An optimal, real-time allocation algorithm was developed which maps the algorithmic tasks onto the processing elements. This allocation is based on the critical path analysis. The final stage is the design and development of the hardware structures suitable for the efficient execution of the allocated task graph. The processing element is designed for rapid execution of the allocated tasks. Fault tolerance is a key feature of the overall architecture. Parallel numerical integration techniques, tasks definitions, and allocation algorithms are discussed. The parallel implementation is analytically verified and the experimental results are presented. The design of the data-driven computer architecture, customized for the execution of the particular algorithm, is discussed.

Carroll, Chester C.↗

NASA NTRS1991

A three-dimensional finite-element thermal/mechanical analytical technique for high-performance traveling wave tubes

Current research in high-efficiency, high-performance traveling wave tubes (TWT's) has led to the development of novel thermal/ mechanical computer models for use with helical slow-wave structures. A three-dimensional, finite element computer model and analytical technique used to study the structural integrity and thermal operation of a high-efficiency, diamond-rod, K-band TWT designed for use in advanced space communications systems. This analysis focused on the slow-wave circuit in the radiofrequency section of the TWT, where an inherent localized heating problem existed and where failures were observed during earlier cold compression, or 'coining' fabrication technique that shows great potential for future TWT development efforts. For this analysis, a three-dimensional, finite element model was used along with MARC, a commercially available finite element code, to simulate the fabrication of a diamond-rod TWT. This analysis was conducted by using component and material specifications consistent with actual TWT fabrication and was verified against empirical data. The analysis is nonlinear owing to material plasticity introduced by the forming process and also to geometric nonlinearities presented by the component assembly configuration. The computer model was developed by using the high efficiency, K-band TWT design but is general enough to permit similar analyses to be performed on a wide variety of TWT designs and styles. The results of the TWT operating condition and structural failure mode analysis, as well as a comparison of analytical results to test data are presented.

Bartos, Karen F.↗

NASA NTRS1992

A three-dimensional finite-element thermal/mechanical analytical technique for high-performance traveling wave tubes

Current research in high-efficiency, high-performance traveling wave tubes (TWT's) has led to the development of novel thermal/mechanical computer models for use with helical slow-wave structures. A three-dimensional, finite element computer model and analytical technique used to study the structural integrity and thermal operation of a high-efficiency, diamond-rod, K-band TWT designed for use in advanced space communications systems. This analysis focused on the slow-wave circuit in the radiofrequency section of the TWT, where an inherent localized heating problem existed and where failures were observed during earlier cold compression, or 'coining' fabrication technique that shows great potential for future TWT development efforts. For this analysis, a three-dimensional, finite element model was used along with MARC, a commercially available finite element code, to simulate the fabrication of a diamond-rod TWT. This analysis was conducted by using component and material specifications consistent with actual TWT fabrication and was verified against empirical data. The analysis is nonlinear owing to material plasticity introduced by the forming process and also to geometric nonlinearities presented by the component assembly configuration. The computer model was developed by using the high efficiency, K-band TWT design but is general enough to permit similar analyses to be performed on a wide variety of TWT designs and styles. The results of the TWT operating condition and structural failure mode analysis, as well as a comparison of analytical results to test data are presented.

Shalkhauser, Kurt A.↗

NASA NTRS1993

LOX/hydrocarbon rocket engine analytical design methodology development and validation. Volume 2: Appendices

This final report includes a discussion of the work accomplished during the period from Dec. 1988 through Nov. 1991. The objective of the program was to assemble existing performance and combustion stability models into a usable design methodology capable of designing and analyzing high-performance and stable LOX/hydrocarbon booster engines. The methodology was then used to design a validation engine. The capabilities and validity of the methodology were demonstrated using this engine in an extensive hot fire test program. The engine used LOX/RP-1 propellants and was tested over a range of mixture ratios, chamber pressures, and acoustic damping device configurations. This volume contains time domain and frequency domain stability plots which indicate the pressure perturbation amplitudes and frequencies from approximately 30 tests of a 50K thrust rocket engine using LOX/RP-1 propellants over a range of chamber pressures from 240 to 1750 psia with mixture ratios of from 1.2 to 7.5. The data is from test configurations which used both bitune and monotune acoustic cavities and from tests with no acoustic cavities. The engine had a length of 14 inches and a contraction ratio of 2.0 using a 7.68 inch diameter injector. The data was taken from both stable and unstable tests. All combustion instabilities were spontaneous in the first tangential mode. Although stability bombs were used and generated overpressures of approximately 20 percent, no tests were driven unstable by the bombs. The stability instrumentation included six high-frequency Kistler transducers in the combustion chamber, a high-frequency Kistler transducer in each propellant manifold, and tri-axial accelerometers. Performance data is presented, both characteristic velocity efficiencies and energy release efficiencies, for those tests of sufficient duration to record steady state values.

Niiya, Karen E.↗

NASA NTRS2000

Optimization of Microelectronic Devices for Sensor Applications

The NASA/JPL goal to reduce payload in future space missions while increasing mission capability demands miniaturization of active and passive sensors, analytical instruments and communication systems among others. Currently, typical system requirements include the detection of particular spectral lines, associated data processing, and communication of the acquired data to other systems. Advances in lithography and deposition methods result in more advanced devices for space application, while the sub-micron resolution currently available opens a vast design space. Though an experimental exploration of this widening design space-searching for optimized performance by repeated fabrication efforts-is unfeasible, it does motivate the development of reliable software design tools. These tools necessitate models based on fundamental physics and mathematics of the device to accurately model effects such as diffraction and scattering in opto-electronic devices, or bandstructure and scattering in heterostructure devices. The software tools must have convenient turn-around times and interfaces that allow effective usage. The first issue is addressed by the application of high-performance computers and the second by the development of graphical user interfaces driven by properly developed data structures. These tools can then be integrated into an optimization environment, and with the available memory capacity and computational speed of high performance parallel platforms, simulation of optimized components can proceed. In this paper, specific applications of the electromagnetic modeling of infrared filtering, as well as heterostructure device design will be presented using genetic algorithm global optimization methods.

Cwik, Tom↗

NASA NTRS2012

Methane Lunar Surface Thermal Control Test

NASA is considering propulsion system concepts for future missions including human return to the lunar surface. Studies have identified cryogenic methane (LCH4) and oxygen (LO2) as a desirable propellant combination for the lunar surface ascent propulsion system, and they point to a surface stay requirement of 180 days. To meet this requirement, a test article was prepared with state-of-the-art insulation and tested in simulated lunar mission environments at NASA GRC. The primary goals were to validate design and models of the key thermal control technologies to store unvented methane for long durations, with a low-density high-performing Multi-layer Insulation (MLI) system to protect the propellant tanks from the environmental heat of low Earth orbit (LEO), Earth to Moon transit, lunar surface, and with the LCH4 initially densified. The data and accompanying analysis shows this storage design would have fallen well short of the unvented 180 day storage requirement, due to the MLI density being much higher than intended, its substructure collapse, and blanket separation during depressurization. Despite the performance issue, insight into analytical models and MLI construction was gained. Such modeling is important for the effective design of flight vehicle concepts, such as in-space cryogenic depots or in-space cryogenic propulsion stages.

Plachta, David W.↗

NASA NTRS2016

Boeing Smart Rotor Full-scale Wind Tunnel Test Data Report

A full-scale helicopter smart material actuated rotor technology (SMART) rotor test was conducted in the USAF National Full-Scale Aerodynamics Complex 40- by 80-Foot Wind Tunnel at NASA Ames. The SMART rotor system is a five-bladed MD 902 bearingless rotor with active trailing-edge flaps. The flaps are actuated using piezoelectric actuators. Rotor performance, structural loads, and acoustic data were obtained over a wide range of rotor shaft angles of attack, thrust, and airspeeds. The primary test objective was to acquire unique validation data for the high-performance computing analyses developed under the Defense Advanced Research Project Agency (DARPA) Helicopter Quieting Program (HQP). Other research objectives included quantifying the ability of the on-blade flaps to achieve vibration reduction, rotor smoothing, and performance improvements. This data set of rotor performance and structural loads can be used for analytical and experimental comparison studies with other full-scale rotor systems and for analytical validation of computer simulation models. The purpose of this final data report is to document a comprehensive, highquality data set that includes only data points where the flap was actively controlled and each of the five flaps behaved in a similar manner.

Full-Scale Wind Tunnel↗

NASA NTRS2016

High-Performance Reaction Wheel Optimization for Fine-Pointing Space Platforms: Minimizing Induced Vibration Effects on Jitter Performance plus Lessons Learned from Hubble Space Telescope for Current and Future Spacecraft Applications

The Hubble Space Telescope (HST) applies large-diameter optics (2.5-m primary mirror) for diffraction-limited resolution spanning an extended wavelength range (approx. 100-2500 nm). Its Pointing Control System (PCS) Reaction Wheel Assemblies (RWAs), in the Support Systems Module (SSM), acquired an unprecedented set of high-sensitivity Induced Vibration (IV) data for 5 flight-certified RWAs: dwelling at set rotation rates. Focused on 4 key ratios, force and moment harmonic values (in 3 local principal directions) are extracted in the RWA operating range (0-3000 RPM). The IV test data, obtained under ambient lab conditions, are investigated in detail, evaluated, compiled, and curve-fitted; variational trends, core causes, and unforeseen anomalies are addressed. In aggregate, these values constitute a statistically-valid basis to quantify ground test-to-test variations and facilitate extrapolations to on-orbit conditions. Accumulated knowledge of bearing-rotor vibrational sources, corresponding harmonic contributions, and salient elements of IV key variability factors are discussed. An evolved methodology is presented for absolute assessments and relative comparisons of macro-level IV signal magnitude due to micro-level construction-assembly geometric details/imperfections stemming from both electrical drive and primary bearing design parameters. Based upon studies of same-size/similar-design momentum wheels' IV changes, upper estimates due to transitions from ground tests to orbital conditions are derived. Recommended HST RWA choices are discussed relative to system optimization/tradeoffs of Line-Of-Sight (LOS) vector-pointing focal-plane error driven by higher IV transmissibilities through low-damped structural dynamics that stimulate optical elements. Unique analytical disturbance results for orbital HST accelerations are described applicable to microgravity efforts. Conclusions, lessons learned, historical context/insights, and perspectives on future applications are given; these previously unpublished data and findings represents a valuable resource for fine-pointing spacecraft or space-based platforms using RWAs, Control Moment Gyros (CMGs), Momentum Wheels, or other ball-bearing-based rotational units.

Hasha, Martin D.↗

NASA NTRSDate not supplied

Celestial Mapping System for Lunar Surface Mapping and Analytics

Celestial Mapping System (CMS) is a software platform to generate virtual 3D globe for celestial bodies within our solar system. Various layers are built on top of the virtual globe to provide visualization of high resolution imagery, enable precise measurements, build analytical capabilities and broad range of functionalities to assist planetary scientists and mission planners. CMS is built using OpenJDK 11 and will run on a wide variety of platforms such as Linux, Windows, OSX, etc. It has a thick client with less overhead to access hardware resources. This allows features such as terrain profiling and distance calculations to be performed on the client and on the fly. The present focus of CMS is on developing lunar mapping tool kits to provide features such as - 3D first person view with zoom and navigational capabilities, realistic terrain visualization based on LRO data, measurement tools, Apollo landing site annotations, stereoscopic view, elevation profiles, line of sight analysis and many more. The application is developed to provide situational and domain awareness on Lunar surface, planning capabilities for equipment placements and traverse path optimization. As data becomes available, CMS has the capabilities to integrate data sets that change dynamically in real-time, which will be useful for monitoring satellites and remotely-sensed data on Lunar surface. CMS utilizes NASA WorldWind Java library and OpenGL to achieve high-performance rendering of data and measurements, and also adheres to OGC standards. CMS supports importing synthetic features in a variety of 3D, 2D, vector and raster formats. Nomenclature is pulled from USGS Moon IAU2000 database, and lunar parameters are based of the standardized IAU2000 Moon ellipsoid. GDAL (Geospatial Data Abstraction Library) was used to modify and test the accuracy of datasets before integrating into the application. Our high-resolution global elevation model was compared with the LRO LOLA DEM elevation values and tested to ensure accuracy. Celestial Mapping System has several potential use cases for NASA including subsurface lava tubes visualization and analysis, soil analysis, resource visualization and representation on 3D globe.

GIS system↗