Search NASA⌕ Search

SEARCH · Search NASA

Results for “Computational methods”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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

At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Towards a Verifiable Domain-Specific Language for Hardware-Accelerated Stencils

Defining a domain-specific language (DSL) that supports vector-calculus abstractions eases the porting of partial differential equation (PDE) solvers to specialized architectures. Sufficiently high-level abstractions empower users to express universal laws with sufficient generality that the laws must always hold true within their domain of validity. A broad class of PDE solvers employs stencil-based algorithms, the target domain of Berkeley Lab's stencil accelerator chip co-design project. First released as open-source in January 2026, the Formal software framework lays a foundation for defining an embedded DSL based on composable operators that implement mimetic numerical methods -- stencil algorithms that guarantee satisfaction of discrete versions of important vector calculus theorems. The Formal DSL will be the frontend to a new class of stencil-PDE accelerators developed jointly by LBNL, UHCL, and UC Berkeley through the DOE Competitive Portfolios for Computer Science Project. This offers the potential of an order of magnitude acceleration for this important category of computational methods to serve the DOE mission. Future work on the Formal DSL will facilitate software verification via type-safe templates that enable problem-specific correctness proofs relying upon generic function theory and carefully crafted unit tests.

Rouson, Damian↗
DOE OSTI2023

Integration of Computational Docking into Anti-Cancer Drug Response Prediction Models

Cancer is a heterogeneous disease in that tumors of the same histology type can respond differently to a treatment. Anti-cancer drug response prediction is of paramount importance for both drug development and patient treatment design. Although various computational methods and data have been used to develop drug response prediction models, it remains a challenging problem due to the complexities of cancer mechanisms and cancer-drug interactions. To better characterize the interaction between cancer and drugs, we investigate the feasibility of integrating computationally derived features of molecular mechanisms of action into prediction models. Specifically, we add docking scores of drug molecules and target proteins in combination with cancer gene expressions and molecular drug descriptors for building response models. The results demonstrate a marginal improvement in drug response prediction performance when adding docking scores as additional features, through tests on large drug screening data. We discuss the limitations of the current approach and provide the research community with a baseline dataset of the large-scale computational docking for anti-cancer drugs.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1980

Application of a numerically generated orthogonal coordinate system to the solution of inviscid axisymmetric supersonic flow over blunt bodies

A numerically generated orthogonal coordinate system (with the body surface and shock wave as opposite boundaries) was applied with a time asymptotic method to obtain steady flow solutions for axisymmetric inviscid flow over several blunt bodies including spheres, paraboloids, ellipsoids, hyperboloids, hemisphere cylinders, spherically blunted cones, and a body with a concavity in the stagnation region. Comparisons with experimental data and with the results of other computational methods are discussed. The numerically generated orthogonal coordinate system is described and applications of the method to complex body shapes, particularly those with concave regions, are discussed.

Hamilton, H. H., II↗
NASA NTRS1986

Systolic VLSI for Kalman filters

A novel two-dimensional parallel computing method for real-time Kalman filtering is presented. The mathematical formulation of a Kalman filter algorithm is rearranged to be the type of Faddeev algorithm for generalizing signal processing. The data flow mapping from the Faddeev algorithm to a two-dimensional concurrent computing structure is developed. The architecture of the resulting processor cells is regular, simple, expandable, and therefore naturally suitable for VLSI chip implementation. The computing methodology and the two-dimensional systolic arrays are useful for Kalman filter applications as well as other matrix/vector based algebraic computations.

Yeh, H.-G.↗
NASA NTRS1992

Effect of airfoil (trailing-edge) thickness on the numerical solution of panel methods based on the Dirichlet boundary condition

The practical limit of airfoil thickness ratio for which acceptable engineering results are obtainable with the Dirichlet boundary-condition-based numerical methods is investigated. This is done by studying the effect of thickness on the calculated pressure distribution near the trailing edge and by comparing the aerodynamic coefficients with available exact solutions. The first objective of this study, owing to the wide use of such computational methods, is to demonstrate the numerical symptoms that occur when the body or wing thickness approaches zero and to increase the awareness of potential users of these methods. Additionally, an effort is made to obtain the practical limits of the trailing-edge thickness where such problems will appear in the flow solution, and to propose some possible cures for very thin airfoils or those with cusped trailing edges.

Yon, Steven↗
NASA NTRS1996

Computation of Large Turbulence Structures and Noise of Supersonic Jets

Our research effort concentrated on obtaining an understanding of the generation mechanisms and the prediction of the three components of supersonic jet noise. In addition, we also developed a computational method for calculating the mean flow of turbulent high-speed jets. Below is a short description of the highlights of our contributions in each of these areas: (a) Broadband shock associated noise, (b) Turbulent mixing noise, (c) Screech tones and impingement tones, (d) Computation of the mean flow of turbulent jets.

Tam, Christopher↗
NASA NTRS2001

Fast Computation of the Inverse CMH Model

A fast computational method based on differential equation approach for inverse DOK model has been extended for the inverse CMH model. Also, a cobweb technique for calculating the inverse CMH model is also presented. The two techniques are differed from the point of view of flexibility and computation time.

Patel, Umesh D.↗
NASA NTRS2007

Slip Validation and Prediction for Mars Exploration Rovers

This paper presents a novel technique to validate and predict the rover slips on Martian surface for NASA's Mars Exploration Rovers. Different from the traditional approach, the proposed method uses the actual velocity profile of the wheels and the digital elevation map (DEM) from the stereo images of the terrain to formulate simplified equations of motion of the rovers. A weighted factor to the wheel-ground speed from the empirical data comprises the velocity equations of the simplified differential-algebraic system of the rover motion. Applying the discretization operator to these equations, the full kinematics state of the rover is then resolved by the configuration kinematics solution in the Robot Sequencing and Visualization Program (RSVP). This method produced accurate simulation of the rover movements compared with these of the earth testing vehicle. Using the telemetry from the onboard Visual Odometry, the simulated rover path also compares well with the actual track of the vehicle. Preliminary results indicated that the proposed computational method is very effective in planning the path of the rovers on the high-slope areas.

Mars Rovers↗
NASA NTRSDate not supplied

Thermal Protection Materials and Systems at NASA Ames Research Center

Thermal Protection Systems (TPS) are critical for enabling NASA missions involving high-speed atmospheric flight where the entries usually include descending into the atmosphere followed by a trajectory that aims to burn off energy and result in a controlled landing. NASA Ames focuses on qualifying and certifying TPS for current missions, sustaining TPS for future missions, and developing new TPS for upcoming missions where a heritage solution is not viable. More recently there is also a focus on advancing and transferring technologies that can benefit both commercial and government space needs. Developing mature thermal protection systems is a lengthy process involving advanced tools, extensive research, and testing. Design and analysis tools are used to predict aerothermal environments, aid the design of test and flight hardware, and support the testing for the thermal/mechanical response of thermal protection systems. More recently, advances in computational methods help reduce the time and cost of technological advances, aid in optimized material architecture design, and improve material properties and performance. While high-enthalpy testing that simulates the conditions of space flight remains essential for the evaluation and development of TPS materials, computational tools are already showing promise in reducing the need for widespread testing and can help fast-track the design cycle. With the exploration of new destinations EDL instrumentation remains an important element of the heatshield and NASA Ames and partners have developed and delivered instrumentation flight hardware in support of recent Mars missions (MSL and M2020) as well as Artemis Orion. Sensors installed on the heatshield and backshell of spacecraft provide coveted information about the aerodynamic and aerothermal environment during entry. Over the years NASA Ames has brought several reusable and ablative TPS materials to a level of readiness to hand off to missions and the branch continues to serve as a TPS steward for the agency. This presentation will cover current developments in the above areas that have enabled recent missions, and look to future TPS needs for missions such as Ice Giants.

thermal protection materials↗
NASA NTRSDate not supplied

Thermal Protection Materials and Systems at NASA Ames Research Center

Thermal Protection Systems (TPS) are critical for enabling NASA missions involving high-speed atmospheric flight where the entries usually include descending into the atmosphere followed by a trajectory that aims to burn off energy and result in a controlled landing. NASA Ames focuses on qualifying and certifying TPS for current missions, sustaining TPS for future missions, and developing new TPS for upcoming missions where a heritage solution is not viable. More recently there is also a focus on advancing and transferring technologies that can benefit both commercial and government space needs.Developing mature thermal protection systems is a lengthy process involving advanced tools, extensive research, and testing. Design and analysis tools are used to predict aerothermal environments, aid the design of test and flight hardware, and support the testing for the thermal/mechanical response of thermal protection systems. More recently, advances in computational methods help reduce the time and cost of technological advances, aid in optimized material architecture design, and improve material properties and performance. While high-enthalpy testing that simulates the conditions of space flight remains essential for the evaluation and development of TPS materials, computational tools are already showing promise in reducing the need for widespread testing and can help fast-trackthe design cycle.With the exploration of new destinations EDL instrumentation remains an important element of the heatshield and NASA Ames and partners have developed and delivered instrumentation flight hardware in support of recent Mars missions,including Mars Science Lab (MSL) and Mars 2020 (M2020),as well as Artemis Orion. Sensors installed on the heatshield and backshell of spacecraft provide coveted information about the aerodynamic and aerothermal environment during entry.Overthe years NASA Ames has brought several reusable and ablative TPS materials to a level of readiness to hand off to missions and the Thermal Protection Materials branch continues to serve as a TPS steward for the agency.

Thermal protection materials↗
NASA NTRS1987

Compressible Navier-Stokes equations: A study of leading edge effects

A computational method is developed that allows numerical calculations of the time dependent compressible Navier-Stokes equations.The current results concern a study of flow past a semi-infinite flat plate.Flow develops from given inflow conditions upstream and passes over the flat plate to leave the computational domain without reflecting at the downstream boundary. Leading edge effects are included in this paper. In addition, specification of a heated region which gets convected with the flow is considered. The time history of this convection is obtained, and it exhibits a wave phenomena.

Hariharan, S. I.↗
NASA NTRS1999

Configuration Aerodynamics: Past - Present - Future

The Configuration Aerodynamics (CA) element of the High Speed Research (HSR) program is managed by a joint NASA and Industry team, referred to as the Technology Integration Development (ITD) team. This team is responsible for the development of a broad range of technologies for improved aerodynamic performance and stability and control characteristics at subsonic to supersonic flight conditions. These objectives are pursued through the aggressive use of advanced experimental test techniques and state of the art computational methods. As the HSR program matures and transitions into the next phase the objectives of the Configuration Aerodynamics ITD are being refined to address the drag reduction needs and stability and control requirements of High Speed Civil Transport (HSCT) aircraft. In addition, the experimental and computational tools are being refined and improved to meet these challenges. The presentation will review the work performed within the Configuration Aerodynamics element in 1994 and 1995 and then discuss the plans for the 1996-1998 time period. The final portion of the presentation will review several observations of the HSR program and the design activity within Configuration Aerodynamics.

Wood, Richard M.↗
NASA NTRS2015

Study of Geometric Porosity on Static Stability and Drag Using Computational Fluid Dynamics for Rigid Parachute Shapes

This paper explores use of computational fluid dynamics to study the e↵ect of geometric porosity on static stability and drag for NASA's Multi-Purpose Crew Vehicle main parachute. Both of these aerodynamic characteristics are of interest to in parachute design, and computational methods promise designers the ability to perform detailed parametric studies and other design iterations with a level of control previously unobtainable using ground or flight testing. The approach presented here uses a canopy structural analysis code to define the inflated parachute shapes on which structured computational grids are generated. These grids are used by the computational fluid dynamics code OVERFLOW and are modeled as rigid, impermeable bodies for this analysis. Comparisons to Apollo drop test data is shown as preliminary validation of the technique. Results include several parametric sweeps through design variables in order to better understand the trade between static stability and drag. Finally, designs that maximize static stability with a minimal loss in drag are suggested for further study in subscale ground and flight testing.

Greathouse, James S.↗
DOE OSTI2019

Real-Time Automated Health Information Technology Hazard Detection

The objective of this project is to develop an automated surveillance tool that will help the US Department of Veterans Affairs (VA) to detect potential hazards in health information technology (HIT) systems. To achieve this objective, Oak Ridge National Laboratory (ORNL) researchers have developed computational methods and a surveillance tool that will detect safety concerns and identify opportunities to improve HIT and safety within the VA system using Corporate Data Warehouse (CDW) data. This work is limited to the safe operation and safe use of HIT. It does not address the use of HIT to make health care safer. This project leveraged ORNL expertise in computational sciences and its computing resources accordingly.This report documents the FY 2019 accomplishments on this project. There were three major tasks. The first task developed data extraction approaches, which helped provide a better overall understanding of the important data elements in CDW. The outputs of this task served as inputs into the second task, which is the hazard detection and characterization task. This second task involved development of three methods that can be categorized into probabilistic model, event-based hazards detection, and system-based reliability performance evaluation. The third task dealt with the design, development, and demonstration of the automated surveillance tool. The tool currently resides in ORNL’s Private Health Information enclave at Oak Ridge, Tennessee, and operates on the VA’s CDW data. The developed capabilities and tool have been tested on CDW data from different clinical domains including Consult, Radiology, Laboratory, and Medication.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Assessing the Impact of Measurement Precision on Metabolite Identification Probability in Multidimensional Mass Spectrometry-Based, Reference-Free Metabolomics

Identification of compounds with minimal ambiguity remains a central challenge in mass spectrometry-based metabolomics. Conventional compound identification relies on comparing analytical signatures (e.g., mass-to-charge ratio, collision cross section, tandem mass spectra) against reference data obtained from measurements of authentic chemical standards. The breadth of annotatable compounds using this approach is necessarily limited by availability of authentic standards, analytical throughput, and resolving power of the separations that underly the measurements. The maturation of computational methods, both theory-driven and artificial intelligence/machine learning-based, for prediction of various molecular properties relevant to multidimensional mass spectrometry measurements has opened the door to a new “reference-free” paradigm of compound annotation. Through augmenting existing reference data for molecular properties with computational predictions, the universe of identifiable chemical species can be expanded significantly beyond its current limits. An unexplored aspect of this novel approach is understanding how to gauge confidence in resulting annotations, especially as the compound search space is expanded. Intuitively, the confidence of a compound annotation is related to the inherent discriminatory power of the molecular properties used for identification, as well as the precision with which the properties are measured or predicted. In this work, we characterize this relationship between measurement precision and identification probability in a systematic and quantitative fashion for a defined region of chemical space that includes organic small molecule metabolites. Importantly, this work establishes a framework for conducting metabolite identification probability analysis that enables others to quantify this relationship for their own compounds and properties of interest.

Metabolite Identification↗
DOE OSTI2021

SINGLE: Atomic-resolution structure identification of nanocrystals by graphene liquid cell EM

Analysis of the three-dimensional (3D) structures of nanocrystals with solution-phase transmission electron microscopy is beginning to reveal their unique physiochemical properties. We developed a “one-particle Brownian 3D reconstruction method” based on imaging of ensembles of colloidal nanocrystals using graphene liquid cell electron microscopy. Projection images of differently rotated nanocrystals are acquired using a direct electron detector with high temporal (<2.5 ms) resolution and analyzed to obtain an ensemble of 3D reconstructions. Here, we introduce computational methods required for successful atomic-resolution 3D reconstruction: (i) tracking of the individual particles throughout the time series, (ii) subtraction of the interfering background of the graphene liquid cell, (iii) identification and rejection of low-quality images, and (iv) tailored strategies for 2D/3D alignment and averaging that differ from those used in biological cryo–electron microscopy. Our developments are made available through the open-source software package SINGLE.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Modeling Workloads of a Linear Electromagnetic Code for Load Balancing Matrix Assembly

This report presents our work to model the workloads of a linear electromagnetic application based on the method of moments in the frequency domain to effectively load balance the matrix assembly. This application is particularly challenging to load balance due to its lack of persistent iterative behavior, its operation under tight memory constraint (where the matrix may fill 80% of memory on each node), and the algorithmic complexity of the computational method. This report describes the first step in our work to apply an inspector-executor approach for load balancing workloads where key parameters are exposed during the inspector phase and a pre-trained model is applied to predict relative task weights for the load balancer.

97 MATHEMATICS AND COMPUTING↗