Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Science”

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 163 records · Page 9

Flow matching meets biology and life science: a survey

Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule design, protein generation, catalysis discovery, drug discovery, and beyond. At the same time, biological applications have served as valuable testbeds for evaluating the capabilities of generative models. Recently, flow matching has emerged as a powerful and efficient alternative to diffusion-based generative modeling, with growing interest in its application to problems in biology and life sciences. This paper presents the first comprehensive survey of recent developments in flow matching and its applications in biological domains. We begin by systematically reviewing the foundations and variants of flow matching, and then categorize its applications into three major areas: biological sequence modeling, molecule generation and design, and peptide and protein generation. For each, we provide an in-depth review of recent progress. We also summarize commonly used datasets and software tools, and conclude with a discussion of potential future directions.

59 BASIC BIOLOGICAL SCIENCES↗

Quantum graph learning and algorithms applied in quantum computer sciences and image classification

Graph and network theory play a fundamental role in quantum computer sciences, including quantum information and computation. Random graphs and complex network theory are pivotal in predicting novel quantum phenomena, where entangled links are represented by edges. Quantum algorithms have been developed to enhance solutions for various network problems, giving rise to quantum graph computing and quantum graph learning (QGL). Here, in this review, we explore graph theory and graph learning methods as powerful tools for quantum computers to generate efficient solutions to problems beyond the reach of classical systems. We delve into the development of quantum complex network theory and its applications in quantum computation, materials discovery, and research. We also discuss quantum machine learning (QML) methodologies for effective image classification using qubits, quantum gates, and quantum circuits. Additionally, the paper addresses the challenges of QGL and algorithms, emphasizing the steps needed to develop flexible QGL solvers. This review presents a comprehensive overview of the fields of QGL and QML, highlights recent advancements, and identifies opportunities for future research.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A profile monitor for proton radiography experiments at the Los Alamos Neutron Science Center

The Proton Radiography (pRad) facility at the Los Alamos Neutron Science Center utilizes pulses of protons delivered by the 800 MeV linear accelerator to produce a series of radiographic images to study the dynamic behavior of materials under extreme conditions. Radiographs taken with an empty field of view, or beam pictures, are used to normalize transmission. However, because the center of the proton beam shifts between pulses, an in situ method for measuring beam position is required to normalize images for beam movement to perform absolute radiography. The beam profile monitor described here uses an array of scintillating fibers positioned in the beam path to produce light proportional to beam intensity across the beam cross section. This light is detected using fast photodiodes and a digital oscilloscope, providing a response time of several nanoseconds—suitable for measuring the 50-ns proton pulses used in pRad. The profile monitor achieves a measured position precision of 40 μm and an intensity precision of 0.7%, allowing for beam movement corrections to be applied to images, thereby improving data accuracy and image quality.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Unlocking the benefits of transparent and reusable science for climate-risk management

People around the world seek climate-risk information to guide their decisions. For instance, projections about future flood risk inform where households choose to live, how lenders manage credit risks, and which communities receive federal funding. Yet data limitations and fundamental validation challenges raise important concerns about the reliability of such projections. The principles of transparency and reusability help address these concerns by enabling scrutiny of assumptions and methods, development of foundational data and tools, and consistent application of evaluation standards. While there is ongoing debate about how much transparency commercial climate-risk services should provide, many expect non-commercial actors to lead the way on operationalizing transparency and reusability to fulfill their knowledge-building role in the climate-risk ecosystem. However, despite prominent success stories, we find a substantial gap between principles and practice: only four percent of the most-cited peer-reviewed climate-risk studies in recent years fully share their data and code despite this being a widely accepted minimum standard for transparency. We highlight low-cost measures that non-commercial researchers can take now to improve transparency and reusability. We also emphasize that transformative progress requires substantial investment, cross-sector collaboration, and careful consideration of tradeoffs, data rights, and multiple perspectives on equity. We hope this perspective accelerates both immediate actions and longer-term conversations to improve the ability of science to effectively support timely, evidence-based, and sound climate-risk management.

Open Science↗

2024 roadmap on magnetic microscopy techniques and their applications in materials science

Considering the growing interest in magnetic materials for unconventional computing, data storage, and sensor applications, there is active research not only on material synthesis but also characterisation of their properties. In addition to structural and integral magnetic characterisations, imaging of magnetisation patterns, current distributions and magnetic fields at nano- and microscale is of major importance to understand the material responses and qualify them for specific applications. In this roadmap, we aim to cover a broad portfolio of techniques to perform nano- and microscale magnetic imaging using superconducting quantum interference devices, spin centre and Hall effect magnetometries, scanning probe microscopies, x-ray- and electron-based methods as well as magnetooptics and nanoscale magnetic resonance imaging. The roadmap is aimed as a single access point of information for experts in the field as well as the young generation of students outlining prospects of the development of magnetic imaging technologies for the upcoming decade with a focus on physics, materials science, and chemistry of planar, three-dimensional and geometrically curved objects of different material classes including two-dimensional materials, complex oxides, semi-metals, multiferroics, skyrmions, antiferromagnets, frustrated magnets, magnetic molecules/nanoparticles, ionic conductors, superconductors, spintronic and spinorbitronic materials.

2D materials↗

A science-driven approach to optimize the design for a biological small-angle neutron scattering instrument

Biological small-angle neutron scattering (SANS) instruments facilitate critical analysis of the structure and dynamics of complex biological systems. However, with the growth of experimental demands and the advances in optical systems design, a new neutron optical concept is necessary to overcome the limitations of current instruments. This work presents an approach to include experimental objectives ( i.e. the science to be supported by a specific neutron scattering instrument) in the optimization of the neutron optical concept. The approach for a proposed SANS instrument at the Second Target Station of the Spallation Neutron Source at Oak Ridge National Laboratory, USA, is presented here. Further, the instrument is simulated with the McStas software package. The optimization process is driven by an evolutionary algorithm using McStas output data, which are processed to calculate an objective function designed to quantify the expected performance of the simulated neutron optical configuration for the intended purpose. Each McStas simulation covers the complete instrument, from source to detector, including realistic sample scattering functions. This approach effectively navigates a high-dimensional parameter space that is otherwise intractable; it allows the design of next-generation SANS instruments to address specific scientific cases and has the potential to increase instrument performance compared with traditional design approaches.

47 OTHER INSTRUMENTATION↗

Exabiome: Advancing Microbial Science through Exascale Computing

The Exabiome project seeks to improve the understanding of microbiomes through the development of methods for accelerating metagenomic science using exascale computing. This article gives an overview of scientific impact of the three components of the project: metagenome assembly, protein family detection, and comparative analysis of metagenomes. Exabiome developed MetaHipMer, the only metagenome assembler capable of scaling to full exascale systems. MetaHipMer has enabled ground-breaking assemblies on the Frontier supercomputer, with many scientific benefits, such as the discovery of rare species and viral genomes. To investigate protein families, Exabiome developed two exascale tools, PASTIS and HipMCL. Together, these can utilize exascale resources to understand the functional diversity of billions of dark matter proteins and novel protein families. For comparative analysis, Exabiome developed kmerprof, a tool that can be used to compare huge metagenomes for many different scientific purposes, for example, grouping human microbiomes according to body location.

59 BASIC BIOLOGICAL SCIENCES↗

LANSCE Science Overview [Slides]

LANSCE is primarily focused on three science questions for NNSA and contributes to several other programs. We will primarily consider the NNSA questions: (1) How can we advance our understanding of dynamic material behavior using focused experiments? (2) What tools are needed to address Advanced Manufacturing and Aging? (3) How do we constrain the nuclear reaction networks involved in weapons?

36 MATERIALS SCIENCE↗

2024 OES-Environmental 2024 State of the Science Report, Chapter 11: Summary and Path Forward

The 2024 State of the Science report has brought together the most up-to-date information on potential environmental effects of marine renewable energy (MRE) development on marine animals, habitats, and ecosystem processes, as well as social and economic systems, using information that is publicly available as well as expert input. The report has been reviewed by over 56 experts. The reviewers provided in excess of one thousand comments during the drafting of the report that have been addressed in this version. The OES-Environmental country representatives from the 16 participating countries helped to scope the entirety of the report and provided valuable contributions to all chapters. The input from these contributors and reviewers has resulted in the most complete compendium of research and monitoring findings possible. While there is new and exciting research underway that should further illuminate the risks of MRE stressor-receptor interactions in the near future, suppositions and incomplete results from unpublished studies were not included in order to maintain the integrity, and decrease the uncertainty, of the messages in this report

16 TIDAL AND WAVE POWER↗

Visioning Energy: Science Fiction Author-Energy Researcher Collaboration Workshop Recap

The Visioning Energy: Science Fiction Author-Energy Researcher Collaboration Workshop brought together speculative fiction authors and NREL researchers to examine possible scenarios of the future. The goals of the workshop were to support out-of-the-box thinking and creative future visioning for the researchers and to provide authors with insights into the latest clean energy technologies and their potential. This report outlines the proceedings of the workshop and insights from the collaborative brainstorming activity, highlighting themes and opportunities for further exploration.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Data Science-Driven Discovery of Multimetallic Oxygen-cycle Electrocatalysts for Enhanced Energy Conversion

The overarching objective of this effort has been to combine state-of-the-art data science techniques, first principles analyses, and molecular-level characterization of electrocatalyst structure and reactivity to identify both in-situ mechanisms for degradation and transformation of electrocatalysts with highly complex catalytic structures and the impact of these transformations on catalytic activity. The primary catalysts of interest have been multielemental alloys, including high entropy alloys (HEA’s), which are characterized by a high degree of disorder and up to 20 different elements within a single nanoparticle. We have applied these strategies primarily to energy-critical oxygen cycle electrocatalytic reactions, including oxygen reduction (ORR), but we have also considered extensions to non-electrochemical chemistries such as ammonia synthesis and decomposition. We have made strong progress in the development of computational methods on both the level of machine learning methods development as well as first principles-based treatments of HEA’s, and we have leveraged these insights to propose promising HEA catalysts for the ORR. On the experimental side, we developed new HEA synthesis and characterization protocols relevant to these reactions and developed a database combining our experimental results with corresponding computational tools.

36 MATERIALS SCIENCE↗

Desert-Urban System Integrated Atmospheric Monsoon (DUSTIEAIM) in the Southwestern United States Science Plan

The Desert-Urban System Integrated Atmospheric Monsoon (DUSTIEAIM) campaign is a groundbreaking, high-impact scientific mission that will transform how we understand and respond to energy and water challenges in one of America’s fastest-growing and most heat-stressed urban regions: Phoenix, Arizona. Starting in April 2026, this 18-month field campaign harnesses the full power of the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility and an interdisciplinary science team including national laboratories, universities, and agencies with a broad range of subject-matter expertise. With cutting-edge instruments, active and passive ground-based sensors, radars, and integrated modeling, DUSTIEAIM will deliver the most comprehensive environmental data set ever collected for a desert-urban-agricultural interface.

54 ENVIRONMENTAL SCIENCES↗

The Institute for Nuclear Science to Inspire the next Generation of a Highly Trained workforce (INSIGHT) at FRIB

The proposed INSIGHT Center at FRIB has two objectives: (1) provide a center to support and coordinate a nationwide traineeship effort; and (2) offer traineeships at FRIB by leveraging its scientific opportunities. This will provide an environment to: (i) recruit and retain undergraduate students in (nuclear) physics and sustain and/or increase their interest, confidence, and enthusiasm in this field; (ii) provide participants with a toolset to become effective independent researchers who pursue further research opportunities as undergraduates; and (iii) encourage participants to pursue graduate studies and potential careers in nuclear science, or related STEM fields.

07 ISOTOPE AND RADIATION SOURCES↗

Applying Social Science Methods to Assess and Improve Program Outcomes: A Case Study on the Gap Region Outreach Project

This paper outlines a replicable framework for assessing gaps, reach, and the impact of technical assistance (TA) programs, using the Energy to Communities (E2C) Gap Region Outreach Project as a case study. By applying qualitative social science methods, this framework provides tools for effectively engaging with underrepresented regions, identifying barriers to participation, and tailoring solutions to local needs. The study highlights the importance of leveraging stakeholder insights to address disparities in program engagement and participation, offering actionable recommendations to enhance program responsiveness and optimize resource allocation. This approach serves as a guide for practitioners seeking to expand the reach and effectiveness of federally funded TA programs while ensuring alignment with community priorities and capacity needs.

99 GENERAL AND MISCELLANEOUS↗

Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science

This presentation explores the transformative potential of autonomous electron microscopy and artificial intelligence (AI) in accelerating materials science discovery, particularly for energy applications and materials operating in extreme environments. We discuss pioneering self-driving laboratories at NREL designed to intelligently probe material synthesis and degradation across multiple scales, aiming to rapidly bridge the gap between atomic-level understanding and the development of high-performance, reliable materials. Utilizing advanced machine learning techniques, such as few-shot learning and multimodal analysis integrating imaging and spectroscopy, we demonstrate methods to extract actionable descriptors for material behavior, quantify complex microstructural evolution, and statistically link synthesis parameters to defect populations. This AI-driven approach promises to accelerate the creation of predictive materials tailored for specific missions, enabling faster development cycles and enhanced material assurance.

36 MATERIALS SCIENCE↗

Center for Bio-Inspired Energy Science (CBES) (Final Report)

The goal of the EFRC on Bio-Inspired Energy Science (CBES) has been to create and understand materials and systems inspired by biology, seeking to innovate on energy utilization and its environmental implications. In the most recent two-year funding cycle (2022–2024), we extended strategic projects from each of the five tasks from the previous cycle. This work offers important advances in how soft matter can be used to convert and store energy. We briefly summarize selected key accomplishments from each task below.

10 SYNTHETIC FUELS↗

Plant Design for a Developing Bioeconomy Workshop Report: Frontier Science for the Bioeconomy Workshop Series

Recent advances in fundamental plant biology research, synthetic biology, and artificial intelligence (AI) are unlocking powerful new capabilities in plant biodesign, offering unprecedented potential to reimagine plants as programmable platforms for resource-efficient production of bioenergy, biomaterials, chemicals, and more. The U.S. Department of Energy (DOE) convened the Plant Design for a Developing Bioeconomy virtual workshop on March 12 through 14, 2025, to bring together leaders across plant science, engineering, and computation to assess the current landscape and define a bold vision for future research. Discussions during the workshop built upon findings included in DOE’s Biological and Environmental Research (BER) workshop report Overcoming Barriers in Plant Transformation: A Focus on Bioenergy Crops (U.S. DOE 2024; genomicscience. energy.gov/plant-transformation). Participants identified critical knowledge gaps, technical barriers, and emerging opportunities in the design and engineering of plant systems to support a robust, resilient domestic bioeconomy aligned with DOE’s mission.

09 BIOMASS FUELS↗

Identifying Opportunities at the Interface of Chemistry and Quantum Information Science (Final Technical Report)

This project convened a National Academies committee to identify opportunities and research priorities at the interface of chemistry and quantum information science (QIS). The work culminated in a consensus study report that (1) articulates three fundamental research areas to advance QIS (design and synthesis of molecular qubits; measurement and control of molecular quantum systems; and experimental and computational scaling of qubit design and function), and (2) underscores the importance of cross-disciplinary collaboration, access to facilities and instrumentation, FAIR-aligned data infrastructure, and workforce development initiatives to sustain U.S. leadership in QIS. The report and all other material associated with this project can be downloaded on the project webpage: https://www.nationalacademies.org/projects/DELS-BCST-21-01 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗