Search NASA⌕ Search

SEARCH · Search NASA

Results for “scientific method”

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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Application of the new IAPWS Guideline on the fast and accurate calculation of steam and water properties with the Spline-Based Table Look-Up Method (SBTL) in RELAP-7

The numerical simulation of thermalhydraulic processes in nuclear power plants requires very accurate and extremely fast algorithms for calculating the thermophysical properties of water and steam. In order to provide such algorithms, the International Association for the Properties of Water and Steam (IAPWS) has adopted the new “IAPWS Guideline on the Fast Calculation of Steam and Water Properties with the Spline-Based Table Look-Up Method (SBTL)”. In this article, the SBTL method is applied to property functions of specific volume and specific internal energy (v,e) based on the scientific formulation IAPWS-95 and the latest IAPWS formulations for transport properties. From the newly generated SBTL functions, thermodynamic and transport properties as well as their derivatives and inverse functions are calculable in the fluid range of state for pressures up to 100 MPa and for temperatures up to 1273 K, including the metastable liquid and the metastable vapor regions. The SBTL functions reproduce the underlying formulations with an accuracy of 10–100 ppm and significantly reduced computing times. The SBTL method has been implemented into the nuclear reactor system safety analysis code RELAP-7 [2] to consider the real fluid behavior of water and steam in a novel 7-equation two-phase flow model.

42 ENGINEERING↗
DOE OSTI2013

Simple method for highlighting the temperature distribution into a liquid sample heated by microwave power field

Microwave induced heating is widely used in medical treatments, scientific and industrial applications. The temperature field inside a microwave heated sample is often inhomogenous, therefore multiple temperature sensors are required for an accurate result. Nowadays, non-contact (Infra Red thermography or microwave radiometry) or direct contact temperature measurement methods (expensive and sophisticated fiber optic temperature sensors transparent to microwave radiation) are mainly used. IR thermography gives only the surface temperature and can not be used for measuring temperature distributions in cross sections of a sample. In this paper we present a very simple experimental method for temperature distribution highlighting inside a cross section of a liquid sample, heated by a microwave radiation through a coaxial applicator. The method proposed is able to offer qualitative information about the heating distribution, using a temperature sensitive liquid crystal sheet. Inhomogeneities as smaller as 1°-2°C produced by the symmetry irregularities of the microwave applicator can be easily detected by visual inspection or by computer assisted color to temperature conversion. Therefore, the microwave applicator is tuned and verified with described method until the temperature inhomogeneities are solved.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Machine Learning for Predictive Performance Analysis in Charged Particle Beam Tools

Imaging methods driven by probes, electrons, and ions have played a dominant role in modern science and engineering. Opportunities for machine vision and AI that focus on consumer problems like driving and feature recognition, are now presenting themselves for automating aspects of the scientific processes. This proposal aims to enable and drive discovery in ultra-low energy implantation by taking advantage of faster processing, flexible control and detection methods, and architecture-agnostic workflows that will result in higher efficiency and shorter scientific development cycles. Custom microscope control, collection and analysis hardware will provide a framework for conducting novel in situ experiments revealing unprecedented insight into surface dynamics at the nanoscale. Ion implantation is a key capability for the semiconductor industry. As devices shrink, novel materials enter the manufacturing line, and quantum technologies transition to being more mainstream. Traditional implantation methods fall short in terms of energy, ion species, and positional precision. Here we demonstrate 1 keV focused ion beam Au implantation into Si and validate the results via atom probe tomography. We show the Au implant depth at 1 keV is 0.8 nm and that identical results for low energy ion implants can be achieved by either lowering the column voltage, or decelerating ions using bias – while maintaining a sub-micron beam focus. We compare our experimental results to static calculations using SRIM and dynamic calculations using binary collision approximation codes TRIDYN and IMSIL. A large discrepancy between the static and dynamic simulation is found that is due to lattice enrichment with high stopping power Au and surface sputtering. Additionally, we demonstrate how model details are particularly important to the simulation of these low-energy heavy-ion implantations. Finally, we discuss how our results pave a way to much lower implantation energies, while maintaining high spatial resolution.

47 OTHER INSTRUMENTATION↗
DOE OSTI2013

Testing the applicability and potential impact of rigorous quantum embedding methods for the study and characterization of metal organic frameworks

The rational design of molecular photosystems is a challenge of paramount scientific, industrial, and societal importance. Computational research has the potential to contribute in this area by allowing for detailed investigations of biological photosystems, by revealing key insights into fundamental photochemical processes, and by allowing for fast and inexpensive screening of candidate photosystems. However, major theoretical obstacles currently hinder the reliable and efficient computational modeling of photocatalytic processes. We are developing new methods that overcome the intrinsic challenges of simulating and understanding the dynamics of processes that are central to solar photocatalysis and basic energy science, including proton-coupled electron transfer (PCET) dynamics. Furthermore, we are using these new methods to elucidate the fundamental chemical processes at the heart of the photocatalytic water splitting, which will yield fundamental insights into natural photosynthesis, as well as new strategies for the design of biomimetic photocatalysts.

14 SOLAR ENERGY↗
NASA NTRSDate not supplied

Pyroscopegridding: Geo-Leo Aerosol Data Fusion (an Open-Source Package)

The retrieval of aerosol optical depths (AODs) from sun-synchronous polar orbiting satellites, such as MODISs, VIIRSs, OMI, TROPOMI, etc., has been widely adopted as a method for obtaining information regarding particulate matter (PM) and related atmospheric processes. However, the advent of recently launched geostationary satellites, such as GOES-16/17/18, Himawari-8/9, and Meteosat Third Generation (MTG), has led to an increased temporal resolution of AOD observations (order of 10 minutes), resulting in typically one or more images per hour during daylight hours, compared to the once-per-day observations obtained from LEO satellites. By integrating these observations, the diurnal cycle of global AOD can be characterized at local, regional, and global scales. The scientific community is still examining the novel data from geostationary satellite observations and evaluating methods for effectively merging these observations with differing spatial and temporal resolutions. This presents a significant ""Big Data"" challenge, encompassing not only data storage, but also data discoverability, accessibility, and migration within cloud computing environments. This study presents our attempts at fusing Level 2 aerosol data from six satellites, three of which are geostationary (GOES-16/17 and Himawari-8) and three of which are polar orbiting (TERRA/MODIS, AQUA/MODIS, and SNPP-VIIRS), using the Dark Target aerosol retrieval algorithm. The ability to fuse remote sensing products on demand into desired temporal and spatial domains empowers researchers and practitioners to more efficiently work with satellite and sensor data. It is our hope that through making our open-source package and accompanying functionality available, the scientific community will have improved access to aerosol data processing resources.

Jennifer Wei↗
DOE OSTI2014

2HOT: an improved parallel hashed oct-tree n-body algorithm for cosmological simulation

We report on improvements made over the past two decades to our adaptive treecode N-body method (HOT). A mathematical and computational approach to the cosmological N-body problem is described, with performance and scalability measured up to 256k (2 18 ) processors. We present error analysis and scientific application results from a series of more than ten 69 billion (4096 3 ) particle cosmological simulations, accounting for 4 × 10 20 floating point operations. These results include the first simulations using the new constraints on the standard model of cosmology from the Planck satellite. Our simulations set a new standard for accuracy and scientific throughput, while meeting or exceeding the computational efficiency of the latest generation of hybrid TreePM N-body methods.

Computer Science↗
DOE OSTI2014

2HOT: An Improved Parallel Hashed Oct-Tree N-Body Algorithm for Cosmological Simulation

We report on improvements made over the past two decades to our adaptive treecode N-body method (HOT). A mathematical and computational approach to the cosmological N-body problem is described, with performance and scalability measured up to 256k (2 18 ) processors. We present error analysis and scientific application results from a series of more than ten 69 billion (4096 3 ) particle cosmological simulations, accounting for 4×10 20 floating point operations. These results include the first simulations using the new constraints on the standard model of cosmology from the Planck satellite. Our simulations set a new standard for accuracy and scientific throughput, while meeting or exceeding the computational efficiency of the latest generation of hybrid TreePM N-body methods.

Warren, Michael S.↗
DOE OSTI2024

Dyn$\mathrm{AMO}$: Multi-agent reinforcement learning for dynamic anticipatory mesh optimization with applications to hyperbolic conservation laws

Here we introduce DynAMO, a reinforcement learning paradigm for Dynamic Anticipatory Mesh Optimization. Adaptive mesh refinement is an effective tool for optimizing computational cost and solution accuracy in numerical methods for partial differential equations. However, traditional adaptive mesh refinement approaches for time-dependent problems typically rely only on instantaneous error indicators to guide adaptivity. As a result, standard strategies often require frequent remeshing to maintain accuracy. In the DynAMO approach, multi-agent reinforcement learning is used to discover new local refinement policies that can anticipate and respond to future solution states by producing meshes that deliver more accurate solutions for longer time intervals. By applying DynAMO to discontinuous Galerkin methods for the linear advection and compressible Euler equations in two dimensions, we demonstrate that this new mesh refinement paradigm can outperform conventional threshold-based strategies while also generalizing to different mesh sizes, remeshing and simulation times, and initial conditions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Uniform-in-phase-space data selection with iterative normalizing flows

Improvements in computational and experimental capabilities are rapidly increasing the amount of scientific data that are routinely generated. In applications that are constrained by memory and computational intensity, excessively large datasets may hinder scientific discovery, making data reduction a critical component of data-driven methods. Datasets are growing in two directions: the number of data points and their dimensionality. Whereas dimension reduction typically aims at describing each data sample on lower-dimensional space, the focus here is on reducing the number of data points. A strategy is proposed to select data points such that they uniformly span the phase-space of the data. The algorithm proposed relies on estimating the probability map of the data and using it to construct an acceptance probability. An iterative method is used to accurately estimate the probability of the rare data points when only a small subset of the dataset is used to construct the probability map. Instead of binning the phase-space to estimate the probability map, its functional form is approximated with a normalizing flow. Therefore, the method naturally extends to high-dimensional datasets. The proposed framework is demonstrated as a viable pathway to enable data-efficient machine learning when abundant data are available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Latest Pleistocene glacial chronology and paleoclimate reconstruction for the East River watershed, Colorado, USA

Reconstructing Pleistocene glaciation timing and extent is vital for understanding paleoclimate. Whereas late Pleistocene glaciation has been studied extensively in western North American mountain ranges, the glacial history of the western Elk Range in Colorado remains understudied, particularly in the East River watershed, a site of intense scientific focus. Here we use cosmogenic nuclide exposure and depth–profile dating methods to determine the timing of glaciation in the East River watershed. We use glacier modeling to reconstruct paleoglacier extents and quantify past climate conditions. Our findings indicate that the East River glacier retreated from its maximum position approximately 17–18 ka, moving to recessional positions between 13 and 15 ka, before experiencing more substantial retreat to high-elevation cirques around 13 ka. Glacier modeling suggests that the maximum ice extents at 17–18 ka could have been sustained by temperature depressions of approximately −6.5°C compared to modern conditions, assuming consistent precipitation. Additionally, the ice position at 13–15 ka could have been supported by temperature depressions of around −4.0°C. These results offer insights into the deglaciation timeline in the East River watershed and broader western Elk Range as well as paleoclimate conditions during the late Pleistocene, which may aid future research on critical zone evolution in the East River watershed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Early Career Perspectives to Broaden the Scope of Critical Zone Science

Abstract Critical Zone (CZ) scientists have advanced understanding of Earth's surface through process‐based research that quantifies water, energy, and mass fluxes in predominantly undisturbed systems. However, the CZ is being increasingly altered by humans through climate and land use change. Expanding the scope of CZ science to include both human‐ and non‐human controls on the CZ is important for understanding anthropogenic impacts to Earth's surface processes and ecosystem services. Here, we share perspectives from predominantly U.S.‐based, early career CZ scientists centered around broadening the scope of CZ science to focus on societally relevant science through a transdisciplinary science framework. We call for increased training on transdisciplinary methods and collaboration opportunities across disciplines and with stakeholders to foster a scientific community that values transdisciplinary science alongside physical science. Here, we build on existing transdisciplinary research frameworks by highlighting the need for institutional support to include and educate graduate students throughout the research processes. We also call for graduate‐student‐led initiatives to increase their own exposure to transdisciplinary science through activities such as transdisciplinary‐focused seminars and symposiums, volunteering with local conservation groups, and participating in internships outside academia.

Warix, Sara [University of Utah Department of Geol↗
DOE OSTI2021

Outlook for artificial intelligence and machine learning at the NSLS-II

Abstract We describe the current and future plans for using artificial intelligence and machine learning (AI/ML) methods at the National Synchrotron Light Source II (NSLS-II), a scientific user facility at the Brookhaven National Laboratory. We discuss the opportunity for using the AI/ML tools and techniques developed in the data and computational science areas to greatly improve the scientific output of large scale experimental user facilities. We describe our current and future plans in areas including from detecting and recovering from faults, optimizing the source and instrument configurations, streamlining the pipeline from measurement to insight, through data acquisition, processing, analysis. The overall strategy and direction of the NSLS-II facility in relation to AI/ML is presented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Exploration of a Combined LIBS and LA-ICP-MS Approach for Apatite Characterisation

A combined laser‐induced breakdown spectroscopy (LIBS) and laser ablation‐inductively coupled plasma‐mass spectrometry (LA‐ICP‐MS) method is demonstrated for comprehensive apatite analysis. These measurements provide elemental imaging that can be used as a screening technique for chemical selection of grains for subsequent analysis (e.g., U‐Pb geochronology) or can be used to understand elemental distributions within a single grain that would have direct textural‐chemical implications (e.g., zoning patterns). Adding LIBS as a simultaneous measurement, to LA‐ICP‐MS U‐Pb geochronology, allowed for the direct determination of F (H and O show promise for future applications) in addition to major and trace elements of interest. Here, the quantitative measurements were validated against a series of apatites with known values and used to characterise a wide range of samples. Fluorine detection limits were determined to be as low as 70 μg g ‐1 F (broadband CMOS detector) and 4.2 μg g ‐1 F (ICCD detector). U‐Pb age dating was simultaneously collected by LA‐ICP‐MS with the quantitative elemental data from LIBS, providing a comprehensive method for geochronology.

Apatite↗
DOE OSTI2014

A practical and theoretical definition of very small field size for radiotherapy output factor measurements

Purpose: This work introduces the concept of very small field size. Output factor (OPF) measurements at these field sizes require extremely careful experimental methodology including the measurement of dosimetric field size at the same time as each OPF measurement. Two quantifiable scientific definitions of the threshold of very small field size are presented. Methods: A practical definition was established by quantifying the effect that a 1 mm error in field size or detector position had on OPFs and setting acceptable uncertainties on OPF at 1%. Alternatively, for a theoretical definition of very small field size, the OPFs were separated into additional factors to investigate the specific effects of lateral electronic disequilibrium, photon scatter in the phantom, and source occlusion. The dominant effect was established and formed the basis of a theoretical definition of very small fields. Each factor was obtained using Monte Carlo simulations of a Varian iX linear accelerator for various square field sizes of side length from 4 to 100 mm, using a nominal photon energy of 6 MV. Results: According to the practical definition established in this project, field sizes ≤15 mm were considered to be very small for 6 MV beams for maximal field size uncertainties of 1 mm. If the acceptable uncertainty in the OPF was increased from 1.0% to 2.0%, or field size uncertainties are 0.5 mm, field sizes ≤12 mm were considered to be very small. Lateral electronic disequilibrium in the phantom was the dominant cause of change in OPF at very small field sizes. Thus the theoretical definition of very small field size coincided to the field size at which lateral electronic disequilibrium clearly caused a greater change in OPF than any other effects. This was found to occur at field sizes ≤12 mm. Source occlusion also caused a large change in OPF for field sizes ≤8 mm. Based on the results of this study, field sizes ≤12 mm were considered to be theoretically very small for 6 MV beams. Conclusions: Extremely careful experimental methodology including the measurement of dosimetric field size at the same time as output factor measurement for each field size setting and also very precise detector alignment is required at field sizes at least ≤12 mm and more conservatively≤15 mm for 6 MV beams. These recommendations should be applied in addition to all the usual considerations for small field dosimetry, including careful detector selection.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

SU-E-T-566: Neutron Dose Cloud Map for Compact ProteusONE Proton Therapy

Purpose: To establish the base line of neutron cloud during patient treatment in our new compact Proteus One proton pencil beam scanning (PBS) system with various beam delivery gantry angles, with or without range shifter (RS) at different body sites. Pencil beam scanning is an emerging treatment technique, for the concerns of neutron exposure, this study is to evaluate the neutron dose equivalent per given delivered dose under various treatment conditions at our proton therapy center. Methods: A wide energy neutron dose equivalent detector (SWENDI-II, Thermo Scientific, MA) was used for neutron dose measurements. It was conducted in the proton therapy vault during beam was on. The measurement location was specifically marked in order to obtain the equivalent dose of neutron activities (H). The distances of 100, 150 and 200 cm at various locations are from the patient isocenter. The neutron dose was measured of proton energy layers, # of spots, maximal energy range, modulation width, field radius, gantry angle, snout position and delivered dose in CGE. The neutron dose cloud is reproducible and is useful for the future reference. Results: When distance increased the neutron equivalent dose (H) reading did not decrease rapidly with changes of proton energy range, modulation width or spot layers. For cranial cases, the average mSv/CGE was about 0.02 versus 0.032 for pelvis cases. RS will induce higher H to be 0.10 mSv/CGE in average. Conclusion: From this study, neutron per dose ratio (mSv/CGE) slightly depends upon various treatment parameters for pencil beams. For similar treatment conditions, our measurement demonstrates this value for pencil beam scanning beam has lowest than uniform scanning or passive scattering beam with a factor of 5. This factor will be monitored continuously for other upcoming treatment parameters in our facility.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2026

Two-Level Sketching Alternating Anderson Acceleration for Complex Physics Applications

We present a novel two-level sketching extension of the Alternating Anderson–Picard (AAP) method for accelerating fixed-point iterations in challenging single- and multiphysics simulations governed by discretized PDEs. Our approach combines a static, physics-based projection that reduces the least-squares (LS) problem to the most informative field (e.g., via Schur-complement insight) with a dynamic, algebraic sketching stage driven by a backward stability analysis under Lipschitz continuity. We introduce inexpensive estimators for stability thresholds and cache-aware randomized selection strategies to balance computational cost against memory access overhead. The resulting algorithm solves reduced LS systems in place, minimizes memory footprints, and seamlessly alternates between low-cost Picard updates and Anderson mixing. Implemented in Julia, our two-level sketching AAP achieves up to 50% time-to-solution reductions compared to standard Anderson acceleration—without degrading convergence rates—on benchmark problems including Stokes, 𝑝-Laplacian, bidomain, and Navier–Stokes formulations at varying problem sizes. These results demonstrate the method’s robustness, scalability, and potential for integration into high-performance scientific computing frameworks. Our implementation is available open source in the AAP.jl library.

Barnafi, Nicolas [University of Chile, Santiago]↗
DOE OSTI2015

TADSim: Discrete Event-based Performance Prediction for Temperature Accelerated Dynamics

Next-generation high-performance computing will require more scalable and flexible performance prediction tools to evaluate software--hardware co-design choices relevant to scientific applications and hardware architectures. Here, we present a new class of tools called application simulators—parameterized fast-running proxies of large-scale scientific applications using parallel discrete event simulation. Parameterized choices for the algorithmic method and hardware options provide a rich space for design exploration and allow us to quickly find well-performing software--hardware combinations. We demonstrate our approach with a TADSim simulator that models the temperature-accelerated dynamics (TAD) method, an algorithmically complex and parameter-rich member of the accelerated molecular dynamics (AMD) family of molecular dynamics methods. The essence of the TAD application is captured without the computational expense and resource usage of the full code. We accomplish this by identifying the time-intensive elements, quantifying algorithm steps in terms of those elements, abstracting them out, and replacing them by the passage of time. We use TADSim to quickly characterize the runtime performance and algorithmic behavior for the otherwise long-running simulation code. We extend TADSim to model algorithm extensions, such as speculative spawning of the compute-bound stages, and predict performance improvements without having to implement such a method. Validation against the actual TAD code shows close agreement for the evolution of an example physical system, a silver surface. Finally, focused parameter scans have allowed us to study algorithm parameter choices over far more scenarios than would be possible with the actual simulation. This has led to interesting performance-related insights and suggested extensions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

The Second ARM Training and Science Application Event: Training the Next Generation of Atmospheric Scientists

The Atmospheric Radiation Measurement (ARM) user facility (Turner and Ellingson 2016) collects valuable observations of atmospheric variables affecting the Earth’s radiation budget. These include properties of aerosol, cloud, precipitation, dynamic, and thermodynamic fields. The ARM user facility also supports routine high-resolution modeling efforts at its Southern Great Plains (SGP) site, and over the years it has had significant impacts on cloud-resolving and Earth system model development (Krueger et al. 2016; Randall et al. 2016). In an effort to promote use of the ARM data by the next generation of atmospheric scientists, the second ARM Summer Training and Science Applications Event on observations and modeling of clouds and precipitation took place from 14 to 21 July 2018. The event was sponsored by the ARM User Facility and was catered toward graduate students and early career scientists interested in observations and modeling of aerosol, cloud, and precipitation processes. Theoretical and practical instructions on the application of ground- and aircraft-based observations from a wide array of active and passive sensors, and finescale-resolution model simulations were provided during the training. This informed the participants about innovative methods for using the ARM data and numerical models to address complex scientific questions. The event was locally organized by the Cooperative Institute for Mesoscale Meteorological Studies (CIMMS) and was held at the National Weather Center in Norman, Oklahoma. The training was attended by 12 instructors and 24 participants.

54 ENVIRONMENTAL SCIENCES↗