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Results for “efficient exploration”

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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Fabrication Infrastructure to Enable Efficient Exploration and Utilization of Space

Unlike past one-at-a-time mission approaches, system-of-systems infrastructures will be needed to enable ambitious scenarios for sustainable future space exploration and utilization. Fabrication infrastructure will be needed to support habitat structure development, tools and mechanical part fabrication, as well as repair and replacement of ground support and space mission hardware such as life support items, vehicle components and crew systems. The fabrication infrastructure will need the In Situ Fabrication and Repair (ISFR) element, which is working in conjunction with the In Situ Resources Utilization (ISRU) element, to live off the land. The ISFR Element supports the entire life cycle of Exploration by: reducing downtime due to failed components; decreasing risk to crew by recovering quickly from degraded operation of equipment; improving system functionality with advanced geometry capabilities; and enhancing mission safety by reducing assembly part counts of original designs where possible. This paper addresses the fabrication infrastructures that support efficient, affordable, reliable infrastructures for both space exploration systems and logistics; these infrastructures allow sustained, affordable and highly effective operations on the Moon, Mars and beyond.

Howell, Joe T.↗
NASA NTRS2008

On-Site Fabrication Infrastructure to Enable Efficient Exploration and Utilization of Space

Unlike past one-at-a-time mission approaches, system-of-systems infrastructures will be needed to enable ambitious scenarios for sustainable future space exploration and utilization. So what do we do when we get to the moon for sustainable exploration. On-site fabrication infrastructure will be needed to support habitat structure development, tools and mechanical part fabrication, as well as repair and replacement of ground support and space mission hardware such as life support items, vehicle components and crew systems. The on-site fabrication infrastructure will need the In Situ Fabrication and Repair (ISFR) element, which is working in conjunction with the In Situ Resources Utilization (ISRU) element, to live off the land. The ISFR element has worked closely with the ISRU element in the past year to assess the ability of using lunar regolith as a viable feedstock for fabrication material. Preliminary work has shown promise and the ISFR Element will continue to concentrate on this activity. Fabrication capabilities have been furthered with the process certification effort that, when completed, will allow for space-qualified hardware to be manufactured. Materials being investigated include titanium and aluminum alloys as well as lunar regolith simulants with binders. This paper addresses the latest advancements made in the fabrication of infrastructures that support efficient, affordable, reliable infrastructures for both space exploration systems and logistics; infrastructures that allow sustained, affordable and highly effective operations on the Moon and beyond.

Howell, Joe T.↗
DOE OSTI2024

Early Exploration of a Flexible Framework for Efficient Quantum Linear Solvers in Power Systems

The rapid integration of renewable energy resources presents formidable challenges in managing power grids. While advanced computing and machine learning techniques offer some solutions for accelerating grid modeling and simulation, there remain complex problems that classical computers cannot effectively address. Quantum computing, a promising technology, has the potential to fundamentally transform how we manage power systems, especially in scenarios with a higher proportion of renewable energy sources. One critical aspect is solving linear systems of equations, crucial for power system applications like power flow analysis, for which the Harrow-Hassidim-Lloyd (HHL) algorithm is a well-known quantum solution. However, HHL quantum circuits often exhibit excessive depth, making them impractical for current Noisy-Intermediate-Scale-Quantum (NISQ) devices. In this paper, we introduce a versatile framework, powered by NWQSim, that bridges the gap between power system applications and quantum linear solvers available in Qiskit. This framework empowers researchers to efficiently explore power system applications using quantum linear solvers. Through innovative gate fusion strategies, reduced circuit depth, and GPU acceleration, our simulator significantly enhances resource efficiency. Power flow case studies have demonstrated up to a eight-fold speedup compared to Qiskit Aer, all while maintaining comparable levels of accuracy.

quantum computing, Harrow-Hassidim-Lloyd, high-per↗
DOE OSTI2025

Accelerating Discovery of Solid‐State Thin‐Film Metal Dealloying for 3D Nanoarchitecture Materials Design through Laser Thermal Gradient Treatment

Thin‐film solid‐state metal dealloying (thin‐film SSMD) is a promising method for fabricating nanostructures with controlled morphology and efficiency, offering advantages over conventional bulk materials processing methods for integration into practical applications. Although machine learning (ML) has facilitated the design of dealloying systems, the selection of key thermal treatment parameters for nanostructure formation remains largely unknown and dependent on experimental trial and error. To overcome this challenge, a workflow enabling high‐throughput characterization of thermal treatment parameters is demonstrated using a laser‐based thermal treatment to create temperature gradients on single thin‐film samples of Nb‐Al/Sc and Nb‐Al/Cu. This continuous thermal space enables observation of dealloying transitions and the resulting nanostructures of interest. Through synchrotron X‐ray multimodal and high‐throughput characterization, critical transitions and nanostructures can be rapidly captured and subsequently verified using electron microscopy. The key temperatures driving chemical reactions and morphological evolutions are clearly identified. While the oxidation may influence nanostructure formation during thin‐film treatment, the dealloying process at the dealloying front involves interactions solely between the dealloying elements, highlighting the availability and viability of the selected systems. Further, this approach enables efficient exploration of the dealloying process and validation of ML predictions, thereby accelerating the discovery of thin‐film SSMD systems with targeted nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Physicochemical and Performance Characterization of Six Commercial Organic Solvent Nanofiltration Membranes

This work introduces a novel, gradient-free metamaterial design method based on Gaussian process regression to represent the density field of a unit cell. The dimension of the design space is determined by the covariance matrix dimension in the Gaussian process regression. We propose compressing this matrix using an autoencoder, enabling the decoder to generate the density field and effectively reduce the originally large design space to a lower-dimensional subspace. In this compressed space, we employ an active learning method, Bayesian Adaptive Direct Search (BADS), for efficient exploration of the design space. We demonstrate that for simple 2D designs aimed at maximizing unit cell stiffness, our method yields results comparable to those of standard topology optimization. Furthermore, we extend our approach to various mechanical problems, from linear elasticity to hyperelastic large deformation and elasto-plasticity under finite deformation, to 3D metamaterial design. This illustrates the method’s versatility and effectiveness across a range of applications.

Wu, Haoran↗
NASA NTRS2020

Efficient Trade Space Exploration

Two of the principal challenges in efficient trade space exploration are (1) quickly evaluating options, and (2) quickly obtaining stakeholder understanding of the results of the evaluation. This presentation describes the processes & methodology that have led to a factor of nine improvement in the efficiency of trade space exploration of space systems in Team-X at the Jet Propulsion Laboratory. The principal method that has enabled this increase in efficiency is the separation of the exploration figures of merit into two distinct types, which are then addressed in an efficient order. The figures of merit in a trade space exploration of N subsystems either scale with the number of interactions between the subsystems and the external constraints, O(N), or with the number of interactions between subsystems, O(N2-N).

Nash, Alfred↗
NASA NTRS2018

Shifting Data Collection from a Fixed to an Adaptive Sampling Paradigm

For domains where data are difficult to obtain due to human or resource limitations, an emphasis is needed to efficiently explore the dimensions of information spaces to acquire any given response of interest. Many disciplines are still making the transition from brute force, dense, full factorial exploration of their information spaces to a more efficient design of experiments approach; the latter being in use successfully for many decades in agricultural and automotive applications. Although this transition is still incomplete, groundwork must be laid for incorporating the next generation of algorithms to adaptively explore the information space in response to data collected, as well as any resulting empirical models (i.e., metamodels). The methodology in the present work was to compare metamodel quality using a fixed sampling technique compared to an adaptive sampling technique based on metamodel variance. In order to quantify metamodeling errors, a delta method was used to provide quantitative model variance estimates. The present methodology was applied to a design space with an air-breathing engine performance response. It was shown that competitive metamodel quality with lower associated error could be achieved for an adaptive sampling technique for the same level of effort as a fixed, a priori sampling technique.

Axdahl, Erik L.↗
DOE OSTI2025

RWRtoolkit: multi-omic network analysis using random walks on multiplex networks in any species

Abstract We introduce RWRtoolkit, a multiplex generation, exploration, and statistical package built for R and command-line users. RWRtoolkit enables the efficient exploration of large and highly complex biological networks generated from custom experimental data and/or from publicly available datasets, and is species agnostic. A range of functions can be used to find topological distances between biological entities, determine relationships within sets of interest, search for topological context around sets of interest, and statistically evaluate the strength of relationships within and between sets. The command-line interface is designed for parallelization on high-performance cluster systems, which enables high-throughput analysis such as permutation testing. Several tools in the package have also been made available for use in reproducible workflows via the KBase web application.

Kainer, David (ORCID:0000000172714676)↗
NASA NTRS2011

Near-Earth Asteroids Accessible to Human Exploration with High-Power Electric Propulsion

The diverse physical and orbital characteristics of near-Earth asteroids provide progressive stepping stones on a flexible path to Mars. Beginning with cislunar exploration capability, the variety of accessible targets steadily increases as technology is developed for eventual missions to Mars. Noting the potential for solar electric propulsion to dramatically reduce launch mass for Mars exploration, we apply this technology to expand the range of candidate asteroid missions. A robust and efficient exploration program emerges where a potential mission is available once per year (on average) with technology levels that span cis-lunar to Mars-orbital capabilities.

deep space exploration↗
NASA NTRS2003

An Advanced Hierarchical Hybrid Environment for Reliability and Performance Modeling

The key issue we intended to address in our proposed research project was the ability to model and study logical and probabilistic aspects of large computer systems. In particular, we wanted to focus mostly on automatic solution algorithms based on a state-space exploration as their first step, in addition to the more traditional discrete-event simulation approaches commonly employed in industry. One explicitly-stated goal was to extend by several orders of magnitude the size of models that can be solved exactly, using a combination of techniques: 1) Efficient exploration and storage of the state space using new data structures that require an amount of memory sublinear in the number states; and 2) Exploitation of the existing symmetries in the matrices describing the system behavior using Kronecker operators. Not only we have been successful in achieving the above goals, but we exceeded them in many respects.

Ciardo, Gianfranco↗
NASA NTRS1977

Report of the Terrestrial Bodies Science Working Group. Volume 9: Complementary research and development

Topics discussed include the need for: the conception and development of a wide spectrum of experiments, instruments, and vehicles in order to derive the proper return from an exploration program; the effective use of alternative methods of data acquisition involving ground-based, airborne and near Earth orbital techniques to supplement spacraft mission; and continued reduction and analysis of existing data including laboratory and theoretical studies in order to benefit fully from experiments and to build on the past programs toward a logical and efficient exploration of the solar system.

Fanale, F. P.↗
DOE OSTI2025

Machine‐Learning‐Driven Exploration of Surface Reconstructions of Reduced Rutile TiO 2

Abstract Titanium dioxide (TiO 2 ) is widely used as a catalyst support due to its stability, tunable electronic properties, and surface oxygen vacancies, which are crucial for catalytic processes such as the reverse water‐gas shift (RWGS) reaction. Reduced TiO 2 surfaces undergo complex surface reconstructions that endow unique properties but are computationally challenging to describe. In this study, we utilize machine‐learning interatomic potentials (MLIPs) integrated with an active‐learning workflow to efficiently explore reduced rutile TiO 2 surfaces. This approach enabled the prediction of a phase diagram as a function of oxygen chemical potential, revealing a variety of reconstructed phases, including a previously unreported subsurface shear plane structure. We further investigate the electronic properties of these surfaces and validate our results by comparing experimental and theoretical high‐resolution transmission electron microscopy (HRTEM). Our findings provide new insights into how extreme surface reductions influence the structural and electronic properties of TiO 2 , with potential implications for catalyst design.

Lee, Yonghyuk [Chemistry and Biochemistry Universi↗
DOE OSTI2025

Machine‐Learning‐Driven Exploration of Surface Reconstructions of Reduced Rutile TiO 2

Titanium dioxide (TiO 2 ) is widely used as a catalyst support due to its stability, tunable electronic properties, and surface oxygen vacancies, which are crucial for catalytic processes such as the reverse water-gas shift (RWGS) reaction. Reduced TiO 2 surfaces undergo complex surface reconstructions that endow unique properties but are computationally challenging to describe. In this study, we utilize machine-learning interatomic potentials (MLIPs) integrated with an active-learning workflow to efficiently explore reduced rutile TiO 2 surfaces. This approach enabled the prediction of a phase diagram as a function of oxygen chemical potential, revealing a variety of reconstructed phases, including a previously unreported subsurface shear plane structure. We further investigate the electronic properties of these surfaces and validate our results by comparing experimental and theoretical high-resolution transmission electron microscopy (HRTEM). Our findings provide new insights into how extreme surface reductions influence the structural and electronic properties of TiO 2 , with potential implications for catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Autonomous Nanoparticle Synthesis Guided by In Situ Multiscale Structural Characterization

Autonomous synthesis platforms promise rapid exploration of vast parameter spaces; yet, integrating in situ structural characterization in closed-loop synthesis optimization remains challenging. We demonstrate a realization of such a closed-loop platform coupled with a droplet-flow microreactor, in situ X-ray scattering methods (SAXS/WAXS), and Gaussian process optimization to synthesize citrate-reduced Au nanoparticles with targeted characteristics. The system efficiently explored ∼19,000 synthesis recipes through 365 experiments, achieving precise control over size (4–60 nm) and polydispersity (σ < 0.11) across large citrate/gold ratios, exceeding traditional synthesis boundaries (1–10). Beyond confirming classical Turkevich–Frens trends, partial-dependence analysis revealed strong nonlinear coupling among precursor, citrate, and pH effects. Combining quantitative SAXS/WAXS analysis with electron microscopy characterization, we uncovered that crystallite size (d c ) and particle size (d) follow d c = 0.18d + β, where synthesis chemistry controls the intercept β while maintaining a universal slope. This parallel-band structure enables independent tuning of crystallite domain size at fixed particle diameter through a combination of chloride, gold precursor, citrate, and pH contributions (cross-validated Spearman ρ = 0.7 ± 0.1). High-resolution electron microscopy shows multiple lattice-fringe orientations within single particles, directly confirming polycrystalline domains and the ability to tune d c at the fixed d. The platform’s validation includes indistinguishable static versus flowing measurements, stable droplet transport at 100 °C, and <5% run-to-run variation, establishing a robust framework for mapping and controlling multiscale nanoparticle structure across expansive chemical spaces. In conclusion, the developed closed-loop platform can be applied to a borad range of nanosyntheis processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

SpecSims: A Scalable Speculative Tree-based Simulation Cloning Framework for Finite Memory Machines

Simulation cloning is a technique in which cloned simulations whose state spaces differ partially from their parent simulation due to intervening events are spawned at runtime and concurrently advanced. It is a powerful method to carry out what-if analysis by speculatively exploring and evaluating the impact of various permutations of intervening cascade of events. Due to the exponential growth in the number of possible clones even for a small number of distinct intervening events, the practical efficacy of the approach is often severely limited by the maximum available memory of the computing host. In this paper, we introduce a novel speculative simulation cloning framework that executes a simulation cloning campaign capable of efficiently exploring an exponentially large space of clone simulations created by permutation of intervening events under a finite memory constraint. We provide a theoretical analysis of the runtime characteristics of our proposed approach and highlight its novel advantages such as memory-aware and as-long-as-needed execution. Furthermore, in support of our analytical findings and to demonstrate its practical feasibility, we implement a prototype of the cloning framework on a shared memory system and report its performance characteristics in the context of a heat diffusion simulation, and a power grid simulation subject to cascading disruptions from geomagnetic disturbances.

Simulation framework↗
DOE OSTI2025

Recovery Simulator and Analysis Formulation: Mathematical Framework for Enhanced Resilience and Resource Allocation

This report introduces recovery simulator and analysis (RSA), a framework aimed at enhancing the resilience of electrical grids post-disruption. The RSA model leverages an optimization problem formulation that focuses on maximizing the load served (or optionally customers served) through a coordinated and cooptimized recovery of non-black start generation, transmission lines, feeders and substations subject to labor budget constraints. By integrating advanced linear programming techniques, the simulator selects efficient reocovery pathways, optimizing both short-term and long-term grid recovery strategies. The mathematical framework guides decision-making through a comprehensive evaluation of potential recovery actions, factoring in the trade-offs between labor constraints and load (or optionally customer) restoration efficacy. This enables grid operators to simulate diverse outage scenarios and delineate optimal recovery pathways, thereby prioritizing critical repair tasks and ensuring resource allocation is both economical and effective. The intended use case of RSA is to allow planners to explore many recovery scenarios quickly and determine assets most critical across a wide range of scenarios, and therefore strong candidates for hardening or additional investment. RSA might also be used in an operational setting, following a single event, for exploring efficient recovery pathways.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Investigating Kinetic Mechanisms of Soot Formation in Plasma Pyrolysis of Methane via Active Learning (Final Technical Report)

Plasma pyrolysis of methane is an effective route for zero-carbon hydrogen production. Yet, soot generated from pyrolysis of hydrocarbons is detrimental to the climate and human health. There is ample experimental and theoretical evidence that suggests polycyclic aromatic hydrocarbons (PAHs) are the molecular precursors to soot particles. The reaction pathways of PAH formation are intricately dependent on a multitude of process parameters, whose kinetic mechanisms are not well-understood in plasma pyrolysis. This project aims to leverage advances in the kinetic modeling of soot formation in combustion, as well as in surrogate modeling and active learning, to systematically investigate the effects of process parameter on the kinetics of PAH formation in plasma pyrolysis of methane. To this end, we propose to use the PAH formation kinetics model developed by the PPPL/PU group based on the well-established ABF and HACA mechanisms, coupled with low-temperature plasma models. We will develop an active learning (AL) framework based on Bayesian optimization to systematically and data-efficiently explore the complex and multivariable parameter space of plasma pyrolysis in order to quantify the effects of plasma and feed parameters on the ABF and HACA kinetic pathways. AL is the branch of machine learning concerned with systematically querying samples from a system (experimental or computational) to train a data-driven model that maps design parameters to a performance criterion. We will use the data generated via AL to perform global sensitivity analysis, combined with uncertainty quantification, to elucidate the impact of different reaction pathways on minimizing formation of soot precursors. This study will result in an improved understanding of kinetics of PAH formation in plasma pyrolysis and can pave the way for more advanced mechanistic studies (e.g., soot nucleation mechanisms). Additionally, the findings will be useful for establishing practical strategies for increasing the pyrolysis efficiency and producing high-grade carbon for synthesis of nanomaterials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗