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

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At least 829 records · Page 46

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NASA NTRS1981

The use of adaptive grids in conjunction with shock capturing methods

The use of shock capturing finite-difference techniques in computing flow fields containing shocks results in a smeared or oscillatory solution in the vicinity of the shocks. This smearing or oscillatory behavior is due to the discretized form of the governing differential equations used to compute the solution. The discretization error can be reduced by a proper clustering of mesh points in the region of the shock and by using shock aligned grids. This paper uses a simple method that was developed earlier to cluster points near the shocks and serves to introduce a new method of generating a shock aligned mesh. Applications to the one-dimensional inviscid Burgers' equation, supersonic flow over a wedge with the associated straight oblique shock, one- and two-dimensional inviscid flows through an expanding duct and the problem of a straight oblique shock in a uniform supersonic freestream are presented. Significant reduction in the oscillatory behavior of the solution is demonstrated.

Rai, M. M.↗

NASA NTRS1989

Grid generation and adaptation for the direct simulation Monte Carlo method

Explore the source record for details and available documents.

Olynick, David P.↗

NASA NTRS2001

Adaptive Numerical Dissipation Controls for High Order Methods

A numerical scheme for direct numerical simulation of shock-turbulence interactions of high speed compressible flows would ideally not be significantly more expensive than the standard fourth or sixth-order compact or non-compact central differencing scheme. It should be possible to resolve all scales down to scales of order of the Kolmogorov scales of turbulence accurately and efficiently, while at the same time being able to capture steep gradients occurring at much smaller scales efficiently. The goal of this lecture is to review the progress and new development of the low dissipative high order shock-capturing schemes proposed by Yee et al. Comparison on the efficiency and accuracy of this class of schemes with spectral and the fifth-order WENO (weighted essentially nonoscillatory) scheme will be presented. A new approach to dynamically sense the appropriate amount of numerical dissipation to be added at each grid point using non-orthogonal wavelets will be discussed.

Yee, Helen C.↗

NASA NTRS2015

AgMIP's Transdisciplinary Agricultural Systems Approach to Regional Integrated Assessment of Climate Impacts, Vulnerability, and Adaptation

This chapter describes methods developed by the Agricultural Model Intercomparison and Improvement Project (AgMIP) to implement a transdisciplinary, systems-based approach for regional-scale (local to national) integrated assessment of agricultural systems under future climate, biophysical, and socio-economic conditions. These methods were used by the AgMIP regional research teams in Sub-Saharan Africa and South Asia to implement the analyses reported in their respective chapters of this book. Additional technical details are provided in Appendix 1.The principal goal that motivates AgMIP's regional integrated assessment (RIA) methodology is to provide scientifically rigorous information needed to support improved decision-making by various stakeholders, ranging from local to national and international non-governmental and governmental organizations.

agriculture↗

NASA NTRS2016

Remote Adaptive Motor Resistance Training Exercise Apparatus and Method of Use Thereof

The invention comprises a method and/or an apparatus using a computer configured exercise system equipped with an electric motor to provide physical resistance to user motion in conjunction with means for sharing exercise system related data and/or user performance data with a secondary user, such as a medical professional, a physical therapist, a trainer, a computer generated competitor, and/or a human competitor. For example, the exercise system is used with a remote trainer to enhance exercise performance, with a remote medical professional for rehabilitation, and/or with a competitor in a competition, such as in a power/weightlifting competition or in a video game. The exercise system is optionally configured with an intelligent software assistant and knowledge navigator functioning as a personal assistant application.

Reich, Alton↗

NASA NTRS2017

Remote Adaptive Motor Resistance Training Exercise Apparatus and Method of Use Thereof

Reich, Alton↗

DOE OSTI2026

EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties

Designing molecules with specific target properties remains a fundamental challenge in computational chemistry. While existing approaches show promise, most rely on simplified representations like SMILES strings or 2D graphs that lack essential three-dimensional geometric information. We present EvoDiffMol, a computational framework that integrates evolutionary algorithms with three-dimensional diffusion models for property-driven molecular generation. The method operates through adaptive evolutionary optimization, where population-based selection guides the generation process toward desired property landscapes. EvoDiffMol supports both unconstrained molecular design and scaffold-constrained generation that preserves fixed substructures while optimizing complementary regions. Comprehensive evaluation demonstrates exceptional performance, achieving the highest drug-likeness score (0.94) among all compared state-of-the-art methods while maintaining excellent validity, uniqueness, and novelty. Beyond single property optimization, the framework demonstrates flexible multi-property optimization capabilities, simultaneously controlling multiple molecular descriptors including synthetic accessibility, lipophilicity, topological polar surface area, and clinically relevant ADMET properties such as cardiotoxicity (hERG) and intestinal permeability (Caco-2). This adaptability spans from simple descriptors to practical pharmaceutical endpoints without requiring complete model retraining. The framework achieves precise control over target property values, generating molecules with properties closely matching specified targets for both single and multiple descriptors. Scaffold-constrained experiments preserve fixed molecular cores while maintaining effective property optimization. The three-dimensional representation offers advantages in maintaining structural validity during iterative optimization, with potential for geometry-aware applications in materials science and drug discovery.

3D molecular generation↗

DOE OSTI2023

Online Adaptive Algorithm for Constraint Energy Minimizing Generalized Multiscale Discontinuous Galerkin Method

Here in this research, we propose an online basis enrichment strategy within the framework of a recently developed constraint energy minimizing generalized multiscale discontinuous Galerkin method. Combining the technique of oversampling, one makes use of the information of the current residuals to adaptively construct basis functions in the online stage to reduce the error of multiscale approximation. A complete analysis of the method is presented, which shows the proposed online enrichment leads to a fast convergence from multiscale approximation to the fine-scale solution. The error reduction can be made sufficiently large by suitably selecting oversampling regions and the number of oversampling layers. Further, the convergence rate of the enrichment algorithm depends on a factor of exponential decay regarding the number of oversampling layers and a user-defined parameter. Numerical results are provided to demonstrate the effectiveness and efficiency of the proposed online adaptive algorithm.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Towards Feature-Preserving 2D and 3D Vector Field Compression

The objective of this work is to develop error-bounded lossy compression methods to preserve topological features in 2D and 3D vector fields. Specifically, we explore the preservation of critical points in piecewise linear vector fields. We define the preservation of critical points as, without any false positive, false negative, or false type change in the decompressed data, (1) keeping each critical point in its original cell and (2) retaining the type of each critical point (e.g., saddle and attracting node). The key to our method is to adapt a vertex-wise error bound for each grid point and to compress input data together with the error bound field using a modified lossy compressor. Our compression algorithm can be also embarrassingly parallelized for large data handling and in situ processing. We benchmark our method by comparing it with existing lossy compressors in terms of false positive/negative/type rates, compression ratio, and various vector field visualizations with several scientific applications.

critical points↗

NASA NTRS1992

Structural system reliability calculation using a probabilistic fault tree analysis method

The development of a new probabilistic fault tree analysis (PFTA) method for calculating structural system reliability is summarized. The proposed PFTA procedure includes: developing a fault tree to represent the complex structural system, constructing an approximation function for each bottom event, determining a dominant sampling sequence for all bottom events, and calculating the system reliability using an adaptive importance sampling method. PFTA is suitable for complicated structural problems that require computer-intensive computer calculations. A computer program has been developed to implement the PFTA.

Torng, T. Y.↗

DOE OSTI2022

Newton trust-region methods with primary variable switching for simulating high temperature multiphase porous media flow

Coupling multiphase flow with energy transport due to high temperature heat sources introduces significant new challenges since boiling and condensation processes can lead to dry-out conditions with subsequent re-wetting. The transition between two-phase and single-phase behavior can require changes to the primary dependent variables adding discontinuities as well as extending constitutive nonlinear relations to extreme physical conditions. Practical simulations of large-scale engineered domains lead to Jacobian systems with a very large number of unknowns that must be solved efficiently using iterative methods in parallel on high-performance computers. Performance assessment of potential nuclear repositories, carbon sequestration sites and geothermal reservoirs can require numerous Monte-Carlo simulations to explore uncertainty in material properties, boundary conditions, and failure scenarios. Due to the numerical challenges, standard NR iteration may not converge over the range of required simulations and require more sophisticated optimization method like trust-region. In this study, we use the open-source simulator PFLOTRAN for the important practical problem of the safety assessment of future nuclear waste repositories in the U.S. DOE geologic disposal safety assessment Framework. The simulator applies the PETSc parallel framework and a backward Euler, finite volume discretization. We demonstrate failure of the conventional NR method and the success of trust-region modifications to Newton’s method for a series of test problems of increasing complexity. Trust-region methods essentially modify the Newton step size and direction under some circumstances where the standard NR iteration can cause the solution to diverge or oscillate. Furthermore, we show how the Newton Trust-Region method can be adapted for Primary Variable Switching (PVS) when the multiphase state changes due to boiling or condensation. The simulations with high-temperature heat sources which led to extreme nonlinear processes with many state changes in the domain did not converge with NR, but they do complete successfully with the trust-region methods modified for PVS. This implementation effectively decreased weeks of simulation time needing manual adjustments to complete a simulation down to a day. Finally, we show the strong scalability of the methods on a single node and multiple nodes in an HPC cluster.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1975

Discrete model reference adaptive control with an augmented error signal

A method for designing discrete model reference adaptive control systems when one has access to only the plant's input and output signals is given. Controllers for single-input, single-output, nonlinear, nonautonomous plants are developed via Liapunov's second method. Anticipative values of the plant output are not required, but are replaced by signals easily obtained from a low-pass filter operating on the plant's output. The augmented error signal method is employed, ensuring finally that the normally used error signal also approaches zero asymptotically.

Ionescu, T.↗

NASA NTRS2001

Inductive Measurement of Plasma Jet Electrical Conductivity (MSFC Center Director's discretionary Fund)

Measurement of plasma jet electrical conductivity has utility in the development of explosively driven magnetohydrodynamic (MHD) energy converters as well as magnetic flux compression reaction chambers for nuclear/chemical pulse propulsion and power. Within these types of reactors, the physical parameter of critical importance to underlying MHD processes is the magnetic Reynolds number, the value of which depends upon the product of plasma electrical conductivity and velocity. Therefore, a thorough understanding of MHD phenomena at high magnetic Reynolds number is essential, and methods are needed for the accurate and reliable measurement of electrical conductivity in high-speed plasma jets. It is well known that direct measurements using electrodes suffer from large surface resistance, and an electrodeless technique is desired. To address this need, an inductive probing scheme, originally developed for shock tube studies, has been adapted. In this method, the perturbation of an applied magnetic field by a plasma jet induces a voltage in a search coil, which, in turn, can be used to infer electrical conductivity through the inversion of a Fredholm integral equation of the first kind. A 1-in.-diameter probe using a light-gas gun. Exploratory laboratory experiments were carried out using plasma jets expelled from 15-g shaped charges. Measured conductivities were in the range of 4 kS/m for unseeded octol charges and 26 kS/m for seeded octol charges containing 2-percent potassium carbonate by mass.

Turner, M. W.↗

DOE OSTI2025

Online energy consumption forecast for battery electric buses using a learning-free algebraic method

Accurately predicting the energy consumption plays a vital role in battery electric buses (BEBs) route planning and deployment. Based on the algebraic derivative estimation, we present a novel method to forecast the energy consumption in real time. In contrast to the mainstream machine-learning-based methods, the proposed method does not require access to the historical energy consumption data. It eliminates the time-consuming and computationally expensive offline training. Consequently, its prediction performance is not constrained by the quantity and quality of the training data. Moreover, the method can swiftly adapt to new situations not included in the previous driving cycles, which makes it especially suitable for emerging transport modes, e.g., on-demand transit services. In addition, its online execution only involves algebraic calculations, yielding superior calculation efficiency. Using real-world data, we comprehensively compare the performance of the proposed learning-free algebraic method with multiple representative machine-learning-based methods. Finally, the advantages and limitations of the proposed method are discussed in detail.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2001

Unic Unstructured CFD Methodology Development

Base heating characteristics is crucial to the success and the overall performance of the X-33 engine. Base heating is important throughout the entire flight trajectory due to the aerospike engine design of X-33. The base region is surrounded by the hot-gas plume, which expands, circulates and impinges on the base. An advanced computation fluid dynamics method is employed in an effort to develop a robust, accurate and efficient tool for the X-33 base heating performance predictions. This computational tool is developed based on a Navier-Stokes flow solver, which is suitable for general complex geometry and includes turbulence, finite-rate chemistry, and radiation models. To fulfill the fast turnaround requirement as a design analysis tool, adaptive mesh refinement method and parallel-computing algorithm are also incorporated in the present model. Case study for the X-33 base-region fluid dynamics and heat transfer characteristics are presented.

Chen, Y. S.↗

NASA NTRS1987

Numerical methods for one-dimensional reaction-diffusion equations arising in combustion theory

A review of numerical methods for one-dimensional reaction-diffusion equations arising in combustion theory is presented. The methods reviewed include explicit, implicit, quasi-linearization, time linearization, operator-splitting, random walk and finite-element techniques and methods of lines. Adaptive and nonadaptive procedures are also reviewed. These techniques are applied first to solve two model problems which have exact traveling wave solutions with which the numerical results can be compared. This comparison is performed in terms of both the wave profile and computed wave speed. It is shown that the computed wave speed is not a good indicator of the accuracy of a particular method. A fourth-order time-linearized, Hermitian compact operator technique is found to be the most accurate method for a variety of time and space sizes.

Ramos, J. I.↗

DOE OSTI2021

Micro-continuum approach for mineral precipitation

Abstract Rates and extents of mineral precipitation in porous media are difficult to predict, in part because laboratory experiments are problematic. It is similarly challenging to implement numerical methods that model this process due to the need to dynamically evolve the interface of solid material. We developed a multiphase solver that implements a micro-continuum simulation approach based on the Darcy–Brinkman–Stokes equation to study mineral precipitation. We used the volume-of-fluid technique in sharp interface implementation to capture the propagation of the solid mineral surface. Additionally, we utilize an adaptive mesh refinement method to improve the resolution of near interface simulation domain dynamically. The developed solver was validated against both analytical solution and Arbitrary Lagrangian–Eulerian approach to ensure its accuracy on simulating the propagation of the solid interface. The precipitation of barite (BaSO 4 ) was chosen as a model system to test the solver using variety of simulation parameters: different geometrical constraints, flow conditions, reaction rate and ion diffusion. The growth of a single barite crystal was simulated to demonstrate the solver’s capability to capture the crystal face specific directional growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

Improvements in Iterative Convergence of FUN3D Solutions

This paper presents a hierarchical adaptive nonlinear iteration method (HANIM) implemented in NASA computational fluid dynamics code, FUN3D, to improve robustness and computational efficiency of FUN3Dsolutions. In contrast to the baseline iterative solver that relies on an approximate Jacobian, a simple multicolor Gauss-Seidel point-implicit iteration scheme, and linear CFL ramping, HANIM is based upon a hierarchy of modules including pre conditioner, generalized conjugate residual, realizability check, nonlinear control,and CFL adaption modules. HANIM performance is systematically compared with the performance of the baseline solver. The iterative solutions are compared for three aerodynamic benchmark cases: a subsonic separated flow around a hemisphere cylinder, a supersonic flow through a long duct, and a subsonic flow over the NASA wing-body juncture model. Two Reynolds-averaged Navier-Stokes turbulence models are used in these computations, namely, the negative variant of the linear one-equation Spalart-Allmar as model and its nonlinear extension based on quadratic constitutive relations.

Li Wang↗