Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “scientific discovery”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

JANUS: Resilient and Adaptive Data Transmission for Enabling Timely and Efficient Cross-Facility Scientific Workflows

In modern science, the growing complexity of large-scale scientific projects has led to an increasing reliance on cross-facility scientific workflows, where resources and expertise from multiple institutions and geographic locations are leveraged to accelerate scientific discovery. These workflows often require transmitting huge amounts of scientific data through wide-area networks. Although high-speed networks like ESnet and transfer services such as Globus have improved data mobility, several challenges remain. The sheer volume of data can overwhelm network bandwidth, widely used transport protocols such as TCP suffer from inefficiencies due to retransmissions triggered by packet loss, and existing fault-tolerance mechanisms like erasure coding introduce substantial overhead. In this paper, we propose Janus, a resilient and adaptable data transmission approach designed for cross-facility scientific workflows. Unlike traditional TCP-based methods, Janus leverages UDP, integrates erasure coding for fault tolerance, and combines it with error-bounded lossy compression to reduce overhead. This novel design allows users to balance data transmission time and accuracy, optimizing transfer performance based on specific scientific requirements. Additionally, Janus dynamically adjusts erasure coding parameters in response to real-time network conditions, ensuring efficient data transfers even in fluctuating environments. We develop optimization models for determining ideal configurations and implement adaptive data transfer protocols to enhance reliability. Through extensive simulations and real-network experiments, we demonstrate that Janus significantly improves transfer efficiency while maintaining data fidelity.

Esaulov, Vladislav [Georgia State University, Atla↗
NASA NTRS2010

Tracking the Short Term Planning (STP) Development Process

Part of the National Aeronautics and Space Administration?s mission is to pioneer the future in space exploration, scientific discovery and aeronautics research is enhanced by discovering new scientific tools to improve life on earth. Sequentially, to successfully explore the unknown, there has to be a planning process that organizes certain events in the right priority. Therefore, the planning support team has to continually improve their processes so the ISS Mission Operations can operate smoothly and effectively. The planning support team consists of people in the Long Range Planning area that develop timelines that includes International Partner?s Preliminary STP inputs all the way through to publishing of the Final STP. Planning is a crucial part of the NASA community when it comes to planning the astronaut?s daily schedule in great detail. The STP Process is in need of improvement, because of the various tasks that are required to be broken down in order to get the overall objective of developing a Final STP done correctly. Then a new project came along in order to store various data in a more efficient database. "The SharePoint site is a Web site that provides a central storage and collaboration space for documents, information, and ideas."

Price, Melanie↗
DOE OSTI2021

Enabling discovery data science through cross-facility workflows

Experimental and observational instruments for scientific research (such as light sources, genome sequencers, accelerators, telescopes and electron microscopes) increasingly require High Performance Computing (HPC) scale capabilities for data analysis and workflow processing. Next-generation instruments are being deployed with higher resolutions and faster data capture rates, creating a big data crunch that cannot be handled by modest institutional computing resources. Often these big data analysis pipelines also require near real-time computing and have higher resilience requirements than the simulation and modeling workloads more traditionally seen at HPC centers. While some facilities have enabled workflows to run at a single HPC facility, there is a growing need to integrate capabilities across HPC facilities to enable cross-facility workflows, either to provide resilience to an experiment, increase analysis throughput capabilities, or to better match a workflow to a particular architecture. In this paper we describe the barriers to executing complex data analysis workflows across HPC facilities and propose an architectural design pattern for enabling scientific discovery using cross-facility workflows that includes orchestration services, application programming interfaces (APIs), data access and co-scheduling.

Antypas, Katerina B.↗
NASA NTRS2022

Space Communications Responsive to Events Across Missions (SCREAM): An Investigation of Network Solutions for Transient Science Space Systems

Space Communications Responsive to Events Across Missions (SCREAM): An Investigation of Network Solutions for Transient Science Space Systems The National Academies have prioritized the pursuit of new scientific discoveries using diverse and temporally coordinated measurements from multiple ground and space-based observatories. Networked communications can enable such measurements by connecting individual observatories and allowing them to operate as a cohesive and purposefully designed system. Timely data flows across terrestrial and space communications networks are required to observe transient scientific events and processes. Currently, communications to space-based observatories experience large latencies due to manual service reservation and scheduling procedures, intermittent signal coverage, and network capacity constraints. If space communications network latencies could be reduced, new discoveries about dynamic scientific processes could be realized. However, science mission and network planners lack a systematic framework for defining, quantifying and evaluating timely space data flow implementation options for transient scientific observation scenarios involving multiple ground and space-based observatories. This dissertation presents a model-based systems engineering approach to investigate and develop network solutions to meet the needs of transient science space systems. First, a systematic investigation of the current transient science operations of the National Aeronautics and Space Administration’s (NASA) Tracking and Data Relay Satellite (TDRS) space data network and the Neil Gehrels Swift Observatory resulted in a formal architectural model for transient science space systems. Two methods individual missions may use to achieve timely network services were defined, quantitatively modeled, and experimentally compared. Next, the architectural model was extended to describe two alternative ways to achieve timely and autonomous space data flows to multiple space-based observatories within the context of a purposefully designed transient science observation scenario. A quantitative multipoint space data flow modeling method based in queueing theory was defined. General system suitability metrics for timeliness, throughput, and capacity were specified to support the evaluation of alternative network data flow implementations. A hypothetical design study was performed to demonstrate the multipoint data flow modeling method and to evaluate alternative data flow implementations using TDRS. The merits of a proposed future TDRS broadcast service to implement multipoint data flows were quantified and compared to expected outcomes using the as-built TDRS network. Then, the architectural model was extended to incorporate commercial network service providers. Quantitative models for Globalstar and Iridium short messaging data services were developed based on publicly available sources. Financial cost was added to the set of system suitability metrics. The hypothetical design study was extended to compare the relative suitability of the as-built TDRS network with the commercial Globalstar and Iridium networks. Finally, results from this research are being applied by NASA missions and network planners. In 2020, Swift implemented the first automated command pipeline, increasing its expected gravitational wave follow-up detection rate by greater than 400%. Current NASA technology initiatives informed by this research will enable future space-based observatories to become interoperable sensing devices connected by a diverse ecosystem of network service providers.

Christopher J. Roberts↗
DOE OSTI2026

Scientific computing

Our research generates a vast amount of data that scientists must gather, store, analyze and interpret. These activities require expertise and the right tools. Fermilab is home to one of the largest tape robotic systems available today, providing more than 800 petabytes of storage capability. The lab is growing the tape facilities to meet expected demands of over 1,000 petabytes of additional data per year by the end of the decade. Fermilab also has the technology and computing power to efficiently pr ocess these data to facilitate scientific discoveries. Our computation al experts work closely with experimenters and the scientific commu - nity at large to provide and facilitate the use of the cutting-edge computing tools necessary for these discoveries.

Fermilab, Fermilab↗
DOE OSTI2025

Enabling Command-and-Control in Advanced In Situ Workflows

Scientific discovery is progressing towards autonomous science with the combination of scientific instruments, high-performance computing, and artificial intelligence in complex workflows. This evolution introduces new requirements for managing scientific workflows, including feedback loops, near real-time constraints, and the ability to dynamically control workflow execution. In situ workflows that analyze and visualize data as it is generated are well-suited to satisfy stringent time constraints and their iterative nature offers greater opportunities for command-and-control. However, only a few of the many workflow management systems available have been specifically designed to manage in situ workflows and often lack support for automated feedback loops that allow analysis and visualization components to interact with the main scientific data producer. To address this need, we present in this paper how to add command-and-control capabilities to a workflow management system. We identify the functional design requirements of such a command-and-control system, detail its architecture, interface, and core mechanisms, and illustrate how advanced in situ workflows can leverage command-and-control in three use cases: graceful termination with checkpoint, dynamic and adaptive data reduction, and event-triggered analysis.

Mehta, Kshitij [ORNL] (ORCID:0000000297149981)↗
NASA NTRS1992

A solar magnetic and velocity field measurement system for Spacelab 2: The Solar Optical Universal Polarimeter (SOUP)

The Solar Optical Universal Polarimeter (SOUP) flew on the shuttle mission Spacelab 2 (STS-51F) in August, 1985, and collected historic solar observations. SOUP is the only solar telescope on either a spacecraft or balloon which has delivered long sequences of diffraction-limited images. These movies led to several discoveries about the solar atmosphere which were published in the scientific journals. After Spacelab 2, reflights were planned on the shuttle Sunlab mission, which was cancelled after the Challenger disaster, and on a balloon flights, which were also cancelled for funding reasons. In the meantime, the instrument was used in a productive program of ground-based observing, which collected excellent scientific data and served as instrument tests. Given here is an overview of the history of the SOUP program, the scientific discoveries, and the instrument design and performance.

Tarbell, Theodore D.↗
NASA NTRS2013

Learning by Viewing - Nobel Labs 360

First of all, my thanks to the Nobel Lindau Foundation for their inspiration and leadership in sharing the excitement of scientific discovery with the public and with future scientists! I have had the pleasure of participating twice in the Lindau meetings, and recently worked with the Nobel Labs 360 project to show how we are building the world's greatest telescope yet, the James Webb Space Telescope (JWST). For the future, I see the greatest challenges for all the sciences in continued public outreach and inspiration. Outreach, so the public knows why we are doing what we are doing, and what difference it makes for them today and in the long-term future. Who knows what our destiny may be? It could be glorious, or not, depending on how we all behave. Inspiration, so that the most creative and inquisitive minds can pursue the scientific and engineering discoveries that are at the heart of so much of human prosperity, health, and progress. And, of course, national and local security depend on those discoveries too; scientists have been working with "the government" throughout recorded history. For the Lindau Nobel experiment, we have a truly abundant supply of knowledge and excitement, through the interactions of young scientists with the Nobelists, and through the lectures and the video recordings we can now share with the whole world across the Internet. But the challenge is always to draw attention! With 7 billion inhabitants on Earth, trying to earn a living and have some fun, there are plenty of competing opportunities and demands on us all. So what will draw attention to our efforts at Lindau? These days, word of mouth has become word of (computer) mouse, and ideas propagate as viruses ( or memes) across the Internet according to the interests of the participants. So our challenge is to find and match those interests, so that the efforts of our scientists, photographers, moviemakers, and writers are rewarded by our public. The world changes every day, so there is no one way to go, and everything is an experiment - sounds scientific, yes? I think our partnership with Volker Steger in the Nobel Labs 360 is one of the most interesting I have seen. Computer viewers can see our scientific habitats and begin to experience being there in person, panning a viewpoint up, down, and all around us, and seeing or hearing explanations of what we are doing.

Mather, John C.↗
DOE OSTI2025

Shift Happens: Building Robust AI Models with Domain Adaptation

Artificial Intelligence (AI) is revolutionizing physics research—from probing the large-scale structure of the Universe to modeling subatomic interactions and fundamental forces. Yet, a major challenge persists: AI models trained on simulations or old experiment / astronomical survey often perform poorly when applied to new data—exposing issues of dataset (domain) shift, model robustness, and uncertainty in predictions. This summer school session will introduce students to common challenges in applying AI across domains and present solutions based on domain adaptation—a set of techniques designed to improve model generalization under domain shift. We will cover foundational ideas, practical strategies, and current research frontiers in this area. Through examples in astrophysics, we'll explore how domain adaptation can help bridge the gap between synthetic and real-world data, improve trust in model outputs, and advance scientific discovery. The concepts discussed are broadly applicable across physics and other scientific disciplines, making this a valuable topic for anyone interested in building robust, transferable AI models for science.

Ciprijanovic, A. [Fermilab] (ORCID:000000031281719↗
DOE OSTI2023

Towards a Software Development Framework for Interconnected Science Ecosystems

The innovative science of the future must be multi-domain and interconnected to usher in the next generation of “self-driving” laboratories enabling consequential discoveries and transformative inventions. Such a disparate and interconnected ecosystem of scientific instruments will need to evolve using a system-of-systems (SoS) approach. The key to enabling application integration with such an SoS will be the use of Software Development Kits (SDKs). Currently, SDKs facilitate scientific research breakthroughs via algorithmic automation, databases and storage, optimization and structure, pervasive environmental monitoring, among others. However, existing SDKs lack instrument-interoperability and reusability capabilities, do not effectively work in an open federated architectural environment, and are largely isolated within silos of the respective scientific disciplines. Inspired by the scalable SoS framework, this work proposes the development of INTERSECT-SDK to provide a coherent environment for multi-domain scientific applications to benefit from the open federated architecture in an interconnected ecosystem of instruments. This approach will decompose functionality into loosely coupled software services for interoperability among several solutions that do not scale beyond a single domain and/or application. Furthermore, the proposed environment will allow operational and managerial inter-dependence while providing opportunities for the researchers to reuse software components from other domains and build universal solution libraries. We demonstrate this research for microscopy use-case, where we show how INTERSECT-SDK is developing the tools necessary to enable advanced scanning methods and accelerate scientific discovery.

Malviya, Addi Thakur↗
DOE OSTI2025

Modular Autonomous Experimentation for Biological Applications (Full Report)

The Modular Autonomous Research System (MARS) was developed to address the pressing need for faster, more reliable, and more adaptable scientific discovery. Traditional experimentation is limited by manual labor, long cycle times, and fragmented data streams, which constrain the ability to explore complex chemical and materials design spaces. To overcome these limitations, we created an integrated, modular platform that combines laboratory robotics, diverse measurement instruments, and a central data infrastructure with artificial intelligence–driven decision-making. The system links liquid handling robots, robotic arms, and optical plate readers into a closed loop where experiments are executed automatically, data is analyzed in real time, and subsequent experimental conditions are adaptively chosen to maximize information gain. Over the course of the project, MARS was validated on two primary test cases—spectroscopic metal–ligand binding assays and peptide-directed mineralization—which highlighted the system’s ability to handle uncertainty and variability in experimental measurements. To further demonstrate modularity and extensibility, we also established additional testbeds in electrochemistry for catalyst discovery and electrolyte formulation for advanced batteries. The results show that MARS can reliably conduct autonomous campaigns with minimal human intervention, adapt to distinct scientific domains, and provide a scalable model for future self-driving laboratories. This work establishes new capabilities for modular, uncertainty-aware automation and directly supports the need for advanced, data-driven research platforms capable of accelerating discovery across a wide range of scientific and national security missions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

We seek to completely revise current models of airborne transmission of respiratory viruses by providing never-before-seen atomic-level views of the SARS-CoV-2 virus within a respiratory aerosol. Our work dramatically extends the capabilities of multiscale computational microscopy to address the significant gaps that exist in current experimental methods, which are limited in their ability to interrogate aerosols at the atomic/molecular level and thus obscure our understanding of airborne transmission. We demonstrate how our integrated data-driven platform provides a new way of exploring the composition, structure, and dynamics of aerosols and aerosolized viruses, while driving simulation method development along several important axes. We present a series of initial scientific discoveries for the SARS-CoV-2 Delta variant, noting that the full scientific impact of this work has yet to be realized.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

VLM4Bio: A Benchmark Dataset to Evaluate Pretrained Vision-Language Models for Trait Discovery from Biological Images

Images are increasingly becoming the currency for documenting biodiversity on the planet, providing novel opportunities for accelerating scientific discoveries in the field of organismal biology, especially with the advent of large vision-language models (VLMs). We ask if pre-trained VLMs can aid scientists in answering a range of biologically relevant questions without any additional fine-tuning. In this paper, we evaluate the effectiveness of 12 state-of-the-art (SOTA) VLMs in the field of organismal biology using a novel dataset, VLM4Bio, consisting of 469K question8 answer pairs involving 30K images from three groups of organisms: fishes, birds, and butterflies, covering five biologically relevant tasks. We also explore the effects of applying prompting techniques and tests for reasoning hallucination on the performance of VLMs, shedding new light on the capabilities of current SOTA VLMs in answering biologically relevant questions using images

Maruf, M [Virginia Tech, Blacksburg]↗
DOE OSTI2024

Identifying Outliers in AI-based Image Compression

Image compression using artificial intelligence (AI) is becoming increasingly prevalent across various fields, including scientific research. Scientific instruments can generate hundreds of images per second, and effectively compressing these images with high compression ratios is crucial for facilitating scientific discoveries. However, automatically detecting outlier cases, where compression may not have succeeded or where interesting scientific phenomena are present, poses a significant challenge. To address this, we have developed a methodology based on unsupervised machine learning techniques for detecting outlier compressed images. This methodology utilizes metrics such as peak signal-to-noise ratio (PSNR), structural similarity index measure (SSIM), structural texture similarity index measure (STSIM), and deep image and structural texture similarity index (DISTS). We have evaluated our methodology on several unlabeled datasets, including microscopy and x-ray images, and have successfully identified multiple outlier images using our proposed approach. Furthermore, our approach has enabled us to identify image semantics that are valuable for post-experiment analysis by scientists.

Data Analysis↗
NASA NTRS2001

Thermal Performance of the Hubble Space Telescope (HST) Solar Array-3 During the Disturbance Verification Test (DVT)

The Hubble Space Telescope (HST) is one of NASA's most productive astronomical observatories. Launched in 1990, the HST continues to gather scientific data to help scientists around the world discover amazing wonders of the universe. To maintain HST in the fore front of scientific discoveries, NASA has routinely conducted servicing missions to refurbish older equipment as well as to replace existing scientific instruments with better, more powerful instruments. In early 2002, NASA will conduct its fourth servicing mission to the HST. This servicing mission is named Servicing Mission 3B (SM3B). During SM3B, one of the major refurbishment efforts will be to install new rigid-panel solar arrays as a replacement for the existing flexible-foil solar arrays. This is necessary in order to increase electrical power availability for the new scientific instruments. Prior to installing the new solar arrays on HST, the HST project must be certain that the new solar arrays will not cause any performance degradations to the observatory. One of the major concerns is any disturbance that can cause pointing Loss of Lock (LOL) for the telescope. While in orbit, the solar-array temperature transitions quickly from sun to shadow. The resulting thermal expansion and contraction can cause a "mechanical disturbance" which may result in LOL. To better characterize this behavior, a test was conducted at the European Space Research and Technology Centre (ESTEC) in the Large Space Simulator (LSS) thermal-vacuum chamber. In this test, the Sun simulator was used to simulate on-orbit effects on the solar arrays. This paper summarizes the thermal performance of the Solar Array-3 (SA3) during the Disturbance Verification Test (DVT). The test was conducted between 26 October 2000 and 30 October 2000. Included in this paper are: (1) brief description of the SA3's components and its thermal design; (2) a summary of the on-orbit temperature predictions; (3) pretest thermal preparations; (4) a description of the chamber and thermal monitoring sensors; and (6) presentation of test thermal data results versus flight predictions.

Nguyen, Daniel H.↗
DOE OSTI2025

Scaling Laws of Graph Neural Networks for Atomistic Materials Modeling

Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific discovery. Graph Neural Networks (GNNs) represent the state-of-the-art approach for modeling atomistic material data thanks to their capacity to capture complex relational structures. While machine learning performance has historically improved with larger models and datasets, GNNs for atomistic materials modeling remain relatively small compared to large language models (LLMs), which leverage billions of parameters and terabyte-scale datasets to achieve remarkable performance in their respective domains. To address this gap, we explore the scaling limits of GNNs for atomistic materials modeling by developing a foundational model with billions of parameters, trained on extensive datasets in terabytescale. Our approach incorporates techniques from LLM libraries to efficiently manage large-scale data and models, enabling both effective training and deployment of these large-scale GNN models. This work addresses three fundamental questions in scaling GNNs: the potential for scaling GNN model architectures, the effect of dataset size on model accuracy, and the applicability of LLM-inspired techniques to GNN architectures. Specifically, the outcomes of this study include (1) insights into the scaling laws for GNNs, highlighting the relationship between model size, dataset volume, and accuracy, (2) a foundational GNN model optimized for atomistic materials modeling, and (3) a GNN codebase enhanced with advanced LLM-based training techniques. Our findings lay the groundwork for large-scale GNNs with billions of parameters and terabyte-scale datasets, establishing a scalable pathway for future advancements in atomistic materials modeling.

Li, Chaojian [ORNL] (ORCID:0000000340309777)↗
DOE OSTI2023

RAPIDS: Reconciling Availability, Accuracy, and Performance in Managing Geo-Distributed Scientific Data

In modern science, big data plays an increasingly important role. Many scientific applications, such as running simulations on supercomputers or conducting experiments on advanced instruments, produce huge amount of data at unprecedented speed. Analyzing and understanding such big data is the key for scientists to make scientific breakthroughs. However, data might become unavailable for scientists to access when outages or maintenance of the storage system occur, which severely hinders scientific discovery. To improve the data availability, data duplication and erasure coding (EC) are often used. But as the scientific data gets larger, using these two methods can cause considerable storage and network overhead.In this paper, we propose RAPIDS, a hybrid approach that combines the multigrid-based error-bounded lossy compression with erasure coding, to significantly reduce the storage and network overhead required for maintaining high data availability. Our experiments show that RAPIDS reduces the storage overhead by up to 7.5x and network overhead by up to 3x to achieve the same level of availability compared to the regular EC method. We improve RAPIDS by building two models to optimize the fault tolerance configurations and data gathering strategy. We demonstrate that RAPIDS significantly improves performance when running on many CPU cores in parallel or on GPUs.

Wan, Lipeng↗