Search NASA⌕ Search

SEARCH · Search NASA

Results for “collaborative teams”

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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

NASA Delay Tolerant Networks: Operational, Evolving, an Ready for Expansion

The future of humanity’s presence beyond Earth depends on the successful commercialization of space. For commercialization to succeed, companies need cost-efficient architectures to support their business models and minimize risks for human capital, design, development, and operations. An ongoing challenge to any space enterprise is the reality that terrestrial network technologies are insufficient to provide reliable communications between assets in space. Whether you need to ensure your valuable data is safely transmitted to the ground or reliably delivered between platforms in orbit, ensuring data integrity over intermittent communication links is a necessity. Current solutions to space communications rely heavily on manual recording, storing, and retrieval of data from spacecraft. The current standard in space communication protocols, Consultative Committee for Space Data Systems (CCSDS) Space Packet standard, is reliant on inflexible network architectures based around mission-critical infrastructure to ensure data delivery. However, by automating the recording, storing, retrieval, and verification of data with Delay Tolerant Networks (DTN), the operator is freed from the dependence on manual data management and expensive mission critical infrastructure. NASA has been developing delay tolerant systems since the late 1990’s. Multiple DTN implementations have been established during that time, each suited to different use cases. Most notably, the DTN deployment for the International Space Station (ISS) includes demonstration of two DTN technologies: Interplanetary Overlay Network (ION) and Delay Tolerant Network Marshall Enterprise (DTNME). Beyond ISS, there are even more NASA DTN deployments being considered. Now that DTN implementations are maturing, it is appropriate to reflect upon these decades of work, review the integration and performance of the existing ISS deployment, and explore the future possibilities for DTN deployment industry-wide. The ISS DTN deployment is a complex architecture consisting of different DTN implementations for the onboard and ground network environments. The ION DTN implementation is being used in the on-board network. The Huntsville Operations Support Center (HOSC) DTN implementation, DTNME, is used by the ground network supporting ISS and will soon be a second onboard gateway too. The two implementations work cooperatively to provide high fidelity data services to flight operations users and payload developers across the globe. Though the two implementations yield a quality service, limitations are evident. Data rate, data storage, and device management are constrained by the services themselves and the complex nature of the deployment. Evolution of operations concepts will improve system capabilities and stability, but significant improvement will require additional development to the implementations themselves and to the overall deployment architecture. Taking advantage of the ongoing development and operation of the ISS DTN service will be central to the success of the future evolutions of NASA DTN deployments while demonstrating the benefits of DTN’s low-cost reliable data communication protocols for the growing commercial space industry. A broad effort on DTN integration and support is necessary to promote expansion beyond existing applications. NASA is developing several useful DTN implementations across a number of different systems: ION, DTNME, High-Rate DTN (HDTN), Bundle Protocol Library (BPLib), and others. To prevent fragmentation, DTN implementation teams need to communicate, collaborate, and integrate with one another to build a solid operational foundation for new DTN deployments. The establishment of a group that can assist new DTN users with understanding the purpose of each DTN implementation, provide best practices, and serve as a general knowledge base is paramount. Potential use of DTN on Gateway and other future NASA missions further drives the need for streamlined communication between DTN implementation teams. A well-integrated and highly engaged NASA DTN working group should help provide system architects the best DTN solutions for future commercial space efforts. This paper will first review the history of DTN implementations, explore the shortcoming of current space networking solutions given available limits in technology, and therefore establish the need for Delay Tolerant Networking in space communications. Secondly, the authors will explore NASA’s array of DTN implementations and highlight their usefulness to space applications. Thirdly, this paper will establish general DTN implementation distinguishing factors. Fourthly, the authors will discuss attempts to create a generic DTN comparison matrix, and the authors will review potential future topics in DTN innovation and collaboration, highlighting several key future efforts. Finally, this paper will describe how the institution of a NASA DTN Working Group will benefit DTN adoption across the governmental and commercial space sector. The goal of this paper is to encourage enthusiasm for DTN, share strategies for improving DTN on both current and future applications, promote the collaboration of DTN implementation groups within the international space operations community, and open the conversations about DTN, priorities, complexities, and innovation to the wider spaceflight industry.

DTN↗
DOE OSTI2026

Seasonal/Spatial Vertical New Particle Formation Variation Study (SSVNV) Field Campaign Report

The Seasonal/Spatial Vertical NPF Variation Study (SSVNV) campaign was conducted to investigate vertically resolved aerosol variability, boundary-layer structure, and new particle formation (NPF) processes across contrasting atmospheric environments through coordinated tethered balloon system (TBS) observations during U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) User Facility fixed-site measurements (Dexheimer et al. 2026). The campaign leveraged the overlapping deployments of the third ARM Mobile Facility (AMF3) at Bankhead National Forest (BNF; Kuang et al. 2023, 2026), Alabama, and the first ARM Mobile Facility 1 (AMF1) Coast-Urban-Rural Gradient Atmospheric Experiment (CoURAGE) in the Baltimore region. The campaign was operated by the TBS team led by Darielle Dexheimer from Sandia National Laboratories, in collaboration with the BNF site science team lead by Chongai Kuang from Brookhaven National Laboratory and the ARM team.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1999

NASA/University Joint Venture (JOVE) Program

Hale-Bopp observations at the NASA IRTF concluded in September 1997. For the post Hale-Bopp period, telescope time was awarded to study comet Giacobini-Zinner in October 1998 at the NASA IRTF. A total of 6 nights were awarded to our team to study the comet where 2 of those 6 nights were awarded to Magee-Sauer as the principal investigator. Other observing trips were awarded to study YSOs (October 1998) and Mars (spring 1999) were Magee-Sauer was a co-investigator. An observing run from July 4 -7 1999 included study of Mars and YSOS. Our group has started to use the NIRSPEC instrument on the Keck II telescope. In collaboration with the development team from UCLA, we obtained images of comet Lee in August 1999. Telescope proposals are submitted each semester for targeted comet observations when a comet is bright enough to observe.

Magee-Sauer, Karen P.↗
DOE OSTI2026

From Rules to Reasoning: A Survey of Large Language Model-Based Approaches to Scientific Hypothesis and Idea Generation

Scientific hypothesis generation represents a fundamental challenge in contemporary research due to exponentially expanding literature volumes and increasing disciplinary specialization. Large language models (LLMs) have emerged as transformative tools for automated scientific discovery, moving beyond traditional rule-based and literature-mining approaches. Four paradigmatic approaches define current LLM-driven hypothesis generation: direct prompting and fine-tuning methods, knowledge-enhanced frameworks integrating retrieval-augmented generation (RAG), multi-agent collaborative systems simulating research teams, and reasoning-focused approaches implementing cognitive architectures. Domain-specific applications demonstrate statistical equivalence to human expert performance in social psychology, experimental validation in biomedical research, and near-expert quality in astronomy. Evaluation methodologies encompass human expert assessment, LLM-as-judge frameworks, and comprehensive benchmarking systems. Technical challenges include hallucination management, knowledge integration limitations, and balancing novelty with feasibility. Future directions emphasize hybrid neural-symbolic architectures and sophisticated human-AI collaboration models for responsible scientific discovery acceleration.

AI-driven discovery↗
DOE OSTI2025

A review of collaborative studies between the NSTX/-U and MAST/-U spherical tokamaks

The National Spherical Torus Experiment (NSTX) at the Princeton Plasma Physics Laboratory in the United States, and the mega ampere spherical tokamak (MAST) at the United Kingdom Atomic Energy Authority in the United Kingdom, and their respective upgrades (NSTX-U and MAST-U) are two MAST fusion devices that have operated roughly over the past two decades. Both devices have made significant contributions to understanding spherical tokamak (ST) plasma physics, and fusion plasmas in general, and both have contributed data to multi-machine database studies. Several diagnostics have been physically moved from one machine to the other by diagnostic teams working on both devices. Collaboration has benefited both research teams in the areas of operational expertise, scenario development, and equilibrium reconstruction techniques. More focused comparative studies between the two devices have been pursued over the years in many areas as well, including stability calculations, disruption characterization, pedestal and edge localized mode stability, confinement and transport, energetic particles, and heating and current drive modelling. Together NSTX/-U and MAST/-U set the stage for the future of STs, which is entering the phase of design of demonstration power plant devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRSDate not supplied

Building Capacity for Policy-makers in a Virtual Setting: Providing Tools to Analyze Wildfire Smoke Plumes and Their Impacts

The NASA DEVELOP Program conducted 10-week long feasibility projects in a remote work setting, including partnering with The Nature Conservancy’s Washington Chapter and the Puget Sound Clean Air Agency to investigate wildfire smoke from 2000 - 2020 in the Pacific Northwest using satellite-derived data. The team engaged with platforms for collaboration both internally with NASA affiliates and externally with community organizations. Working from multiple states, the team members used a variety of software including Google Meet, Microsoft Teams, and Google Earth Engine to foster communication and work with data in a shared virtual environment. Throughout the project, the team learned that executing the project in a distanced work setting made it easier to reach out to scientists across the country for expertise and guidance. To study changes in air quality resulting from wildfire smoke, the team utilized data from NASA’s Fire Information from Resource Management System (FIRMS) and the ESA’s Sentinel-5 TROPOspheric Monitoring Instrument (TROPOMI). The team created a Google Earth Engine web-based tool, “Plume Hazards and Observations of Emissions by Navigating an Interactive eXplorer” (PHOENIX), to visualize changes in pollutants and aerosol optical depth after fire events. The potential relationship between plume height and fire radiative power was evaluated by using NASA’s Moderate Resolution Imaging Spectroradiometer (MODIS) aboard Aqua and Terra satellites and NASA’s Multi-angle Imaging SpectroRadiometer (MISR) aboard Terra with the MISR INteractive eXplorer (MINX). The PHOENIX smoke assessment tool and science communication infographics will be shared electronically with the partner organizations. Furthermore, the team introduced the partners to MINX and will provide a tailored tutorial that included a recorded video and a written component with a live virtual workshop. These resources build capacity for further research and education on wildfire smoke and air quality within communities.

NASA DEVELOP↗
NASA NTRS2018

Hybridized Agile Software Development of Flight Control Team Tools for International Space Station's Payload Operations Integration Center

Ground systems operations at the National Aeronautics and Space Administration's (NASA) Payload Operations and Integration Function (POIF) is increasing, via the High Operations Tempo (HOT) initiative, its ability to support more science activities with a fourth crew member on the International Space Station (ISS). The Flight Control Team's need to support this increased crew presence mandated the need for a series of software tools to better handle the increasing pace of payload science operations. The overall need was clear from the outset, but the full scope and user experience for each tool, were not as well understood, so establishing a fixed set of initial requirements was not feasible. An Agile Software Development (ASD) paradigm takes advantage of uncertainty, and plans for it, so it was deemed the most appropriate approach to create room for exploring novel concepts, and to mount a rapid and flexible response to inevitiably changing requirements. It facilitated the need for unprecedented collaboration between the Product Team (i.e. users from the Flight Control Team) and the Development Team (i.e. POIC systems engineers, developers, testers). This is a process shift in the development, test, and release of software from one that is prescriptive to one that is adaptive, which is necessary for these tools to have longevity. The application of ASD to the product development lifecycle permitted the timely incorporation of customer feedback, and, allowed for continuous quality improvements. This resulted in a suite of tools that are efficient, user-friendly, and enable POIF ground systems to support the increasing pace of payload science operations. ASD is not as much a set of prescriptive processes as it is a shift in mindset; one that moves from planning against change, to planning for change, thereby iteratively growing software towards user-defined value.

Albers, Cerese M.↗
NASA NTRS2019

Aerobracking the ExoMars TGO: the JPL Navigation Experience

In October 2016, ESA’s Trace Gas Orbiter entered into orbit around Mars. The transfer from its initial 24-hour elliptical orbit into the final 2-hour science orbit was helped by means of 952 aerobraking passes between March 2017 and February 2018. For this first aerobraking operation by European Space Operations Centre (ESOC), a dedicated partnership was organized between ESOC and NASA’s Jet Propulsion Laboratory (JPL) to allow for JPL navigation team’s support during the TGO aerobraking operations. The Mission Design and Navigation section at JPL supported the mission by providing consulting in aerobraking navigation operations and independent orbit determination solutions during TGO’s aerobraking. This paper discusses the JPL Navigation team’s experience, challenges faced, and lessons learned during TGO’s aerobraking at Mars. Topics include the collaboration between the two navigation teams, configuration of orbit determination for aero drag passes, arrangement of automated orbit determination, and reporting processes.

Young, Brian↗
NASA NTRS1994

OOD/OOP experience in the Science Operations Center part of the ground system for X ray Timing Explorer mission

The Science Operations Center (SOC) for the X-ray Timing Explorer (XTE) mission is an important component of the XTE ground system. Its mandate includes: (1) command and telemetry for the three XTE instruments, using CCSDS standards; (2) monitoring of the real-time science operations, reconfiguration of the experiment and the instruments, and real-time commanding to address the targets of opportunity (TOO) and alternate observations; and (3) analysis, processing, and archival of the XTE telemetry, and the timely delivery of the data products to the principal investigator (PI) teams and the guest observers (GO). The SOC has two major components: the science operations facility (SOF) that addresses the first two objectives stated above and the guest observer facility (GOF) that addresses the third. The SOF has subscribed to the object oriented design and implementation; while the GOF uses the traditional approach in order to take advantage of the existing software developed in support of previous missions. This paper details the SOF development using the object oriented design (OOD), and its implementation using the object oriented programming (OOP) in C++ under Unix environment on client-server architecture using Sun workstations. It also illustrates how the object oriented (OO) and the traditional approaches coexist in SOF and GOF, the lessons learned, and how the OOD facilitated the distributed software development collaboratively by four different teams. Details are presented for the SOF system, its major subsystems, its interfaces with the rest of the XTE ground data system, and its design and implementation approaches.

Choudhary, Abdur Rahim↗
NASA NTRS1992

Use of Taguchi design of experiments to optimize and increase robustness of preliminary designs

The research performed this summer includes the completion of work begun last summer in support of the Air Launched Personnel Launch System parametric study, providing support on the development of the test matrices for the plume experiments in the Plume Model Investigation Team Project, and aiding in the conceptual design of a lunar habitat. After the conclusion of last years Summer Program, the Systems Definition Branch continued with the Air Launched Personnel Launch System (ALPLS) study by running three experiments defined by L27 Orthogonal Arrays. Although the data was evaluated during the academic year, the analysis of variance and the final project review were completed this summer. The Plume Model Investigation Team (PLUMMIT) was formed by the Engineering Directorate to develop a consensus position on plume impingement loads and to validate plume flowfield models. In order to obtain a large number of individual correlated data sets for model validation, a series of plume experiments was planned. A preliminary 'full factorial' test matrix indicated that 73,024 jet firings would be necessary to obtain all of the information requested. As this was approximately 100 times more firings than the scheduled use of Vacuum Chamber A would permit, considerable effort was needed to reduce the test matrix and optimize it with respect to the specific objectives of the program. Part of the First Lunar Outpost Project deals with Lunar Habitat. Requirements for the habitat include radiation protection, a safe haven for occasional solar flare storms, an airlock module as well as consumables to support 34 extra vehicular activities during a 45 day mission. The objective for the proposed work was to collaborate with the Habitat Team on the development and reusability of the Logistics Modules.

Carrasco, Hector R.↗
NASA NTRS2018

GMI-IPS: Python Processing Software for Aircraft Campaigns

NASA's Atmospheric Tomography Mission (ATom) seeks to understand the impact of anthropogenic air pollution on gases in the Earth's atmosphere. Four flight campaigns are being deployed on a seasonal basis to establish a continuous global-scale data set intended to improve the representation of chemically reactive gases in global atmospheric chemistry models. The Global Modeling Initiative (GMI), is creating chemical transport simulations on a global scale for each of the ATom flight campaigns. To meet the computational demands required to translate the GMI simulation data to grids associated with the flights from the ATom campaigns, the GMI ICARTT Processing Software (GMI-IPS) has been developed and is providing key functionality for data processing and analysis in this ongoing effort. The GMI-IPS is written in Python and provides computational kernels for data interpolation and visualization tasks on GMI simulation data. A key feature of the GMI-IPS, is its ability to read ICARTT files, a text-based file format for airborne instrument data, and extract the required flight information that defines regional and temporal grid parameters associated with an ATom flight. Perhaps most importantly, the GMI-IPS creates ICARTT files containing GMI simulated data, which are used in collaboration with ATom instrument teams and other modeling groups. The initial main task of the GMI-IPS is to interpolate GMI model data to the finer temporal resolution (1-10 seconds) of a given flight. The model data includes basic fields such as temperature and pressure, but the main focus of this effort is to provide species concentrations of chemical gases for ATom flights. The software, which uses parallel computation techniques for data intensive tasks, linearly interpolates each of the model fields to the time resolution of the flight. The temporally interpolated data is then saved to disk, and is used to create additional derived quantities. In order to translate the GMI model data to the spatial grid of the flight path as defined by the pressure, latitude, and longitude points at each flight time record, a weighted average is then calculated from the nearest neighbors in two dimensions (latitude, longitude). Using SciPya's Regular Grid Interpolator, interpolation functions are generated for the GMI model grid and the calculated weighted averages. The flight path points are then extracted from the ATom ICARTT instrument file, and are sent to the multi-dimensional interpolating functions to generate GMI field quantities along the spatial path of the flight. The interpolated field quantities are then written to a ICARTT data file, which is stored for further manipulation. The GMI-IPS is aware of a generic ATom ICARTT header format, containing basic information for all flight campaigns. The GMI-IPS includes logic to edit metadata for the derived field quantities, as well as modify the generic header data such as processing dates and associated instrument files. The ICARTT interpolated data is then appended to the modified header data, and the ICARTT processing is complete for the given flight and ready for collaboration. The output ICARTT data adheres to the ICARTT file format standards V1.1. The visualization component of the GMI-IPS uses Matplotlib extensively and has several functions ranging in complexity. First, it creates a model background curtain for the flight (time versus model eta levels) with the interpolated flight data superimposed on the curtain. Secondly, it creates a time-series plot of the interpolated flight data. Lastly, the visualization component creates averaged 2D model slices (longitude versus latitude) with overlaid flight track circles at key pressure levels. The GMI-IPS consists of a handful of classes and supporting functionality that have been generalized to be compatible with any ICARTT file that adheres to the base class definition. The base class represents a generic ICARTT entry, only defining a single time entry and 3D spatial positioning parameters. Other classes inherit from this base class; several classes for input ICARTT instrument files, which contain the necessary flight positioning information as a basis for data processing, as well as other classes for output ICARTT files, which contain the interpolated model data. Utility classes provide functionality for routine procedures such as: comparing field names among ICARTT files, reading ICARTT entries from a data file and storing them in data structures, and returning a reduced spatial grid based on a collection of ICARTT entries. Although the GMI-IPS is compatible with GMI model data, it can be adapted with reasonable effort for any simulation that creates Hierarchical Data Format (HDF) files. The same can be said of its adaptability to ICARTT files outside of the context of the ATom mission. The GMI-IPS contains just under 30,000 lines of code, eight classes, and a dozen drivers and utility programs. It is maintained with GIT source code management and has been used to deliver processed GMI model data for the ATom campaigns that have taken place to date.

Damon, M. R.↗
NASA NTRS2000

Gravitational Physics Research

Gravitational physics research at ISPAE is connected with NASA's Relativity Mission (Gravity Probe B (GP-B)) which will perform a test of Einstein's General Relativity Theory. GP-B will measure the geodetic and motional effect predicted by General Relativity Theory with extremely stable and sensitive gyroscopes in an earth orbiting satellite. Both effects cause a very small precession of the gyroscope spin axis. The goal of the GP-B experiment is the measurement of the gyroscope precession with very high precision. GP-B is being developed by a team at Stanford University and is scheduled for launch in the year 2001. The related UAH research is a collaboration with Stanford University and MSFC. This research is focussed primarily on the error analysis and data reduction methods of the experiment but includes other topics concerned with experiment systems and their performance affecting the science measurements. The hydrogen maser is the most accurate and stable clock available. It will be used in future gravitational physics missions to measure relativistic effects such as the second order Doppler effect. The HMC experiment, currently under development at the Smithsonian Astrophysical Observatory (SAO), will test the performance and capability of the hydrogen maser clock for gravitational physics measurements. UAH in collaboration with the SAO science team will study methods to evaluate the behavior and performance of the HMC. The GP-B data analysis developed by the Stanford group involves complicated mathematical operations. This situation led to the idea to investigate alternate and possibly simpler mathematical procedures to extract the GP-B measurements form the data stream. Comparison of different methods would increase the confidence in the selected scheme.

Wu, S. T.↗
DOE OSTI2025

Mechanical and Light Activation of Materials for Chemical Production

Abstract Mechanical expansion and contraction of pores within photosynthetic organisms regulate a series of processes that are necessary to manage light absorption, control gas exchange, and regulate water loss. These pores, known as stoma, allow the plant to maximize photosynthetic output depending on environmental conditions such as light intensity, humidity, and temperature by actively changing the size of the stomal opening. Despite advances in artificial photosynthetic systems, little is known about the effect of such mechanical actuation in synthetic materials where chemical reactions occur. It is reported here on a hybrid hydrogel that combines light‐activated supramolecular polymers for superoxide production with thermal mechanical actuation of a covalent polymer. Superoxide production is important in organic synthesis and environmental remediation, and is a potential precursor to hydrogen peroxide liquid fuel. It is shown that the closing of pores in the hybrid hydrogel results in a substantial decrease in photocatalysis, but cycles of swollen and contracted states enhance photocatalysis. The observations motivate the development of biomimetic photosynthetic materials that integrate large scale motion and chemical reactions.

Đorđević, Luka [Department of Chemical Sciences Un↗
DOE OSTI2025

Torsional twist of the SARS ‐ CoV and SARS ‐ CoV ‐2 SUD ‐N and SUD ‐M domains

Abstract Coronavirus non‐structural protein 3 (nsp3) forms hexameric crowns of pores in the double membrane vesicle that houses the replication–transcription complex. Nsp3 in SARS‐like viruses has three unique domains absent in other coronavirus nsp3 proteins. Two of these, SUD‐N (Macrodomain 2) and SUD‐M (Macrodomain 3), form two lobes connected by a peptide linker and an interdomain disulfide bridge. We resolve the first complete x‐ray structure of SARS‐CoV SUD‐N/M as well as a mutant variant of SARS‐CoV‐2 SUD‐N/M modified to restore cysteines for interdomain disulfide bond naturally lost by evolution. Comparative analysis of all structures revealed SUD‐N and SUD‐M are not rigidly associated but rather have significant rotational flexibility. Phylogenetic analysis supports that the potential to form the disulfide bond is common across betacoronavirus isolates from many bat species and civets, but also one or both of the cysteines that form the disulfide bond are absent across isolates from bats and pangolins. The absence of these cysteines does not impact viral replication or protein translation.

Rosas‐Lemus, Monica [Department of Microbiology‐Im↗
DOE OSTI2024

Comparing modelling approaches for a generic nuclear waste repository in salt

This paper contains a comparison of five modelling approaches for a simplified nuclear waste repository in a domal salt formation. It is the result of a four-year collaboration between five international teams on Task F of the DECOVALEX-2023 project on performance assessment modelling. The primary objectives of Task F are to build confidence in the models, methods, and software used for performance assessment (PA) of deep geologic nuclear waste repositories, and/or to bring to the fore additional research and development needed to improve PA methodologies. This work demonstrates how these objectives are accomplished through staged development and comparison of the models and methods used by participating teams in their PA frameworks. Participating teams made a wide range of model assumptions, ranging from compartmentalized networks to full 3D models of the salt formation and repository. Despite differences in the modelling strategies, all models indicate that salt compaction and diffusion of radionuclides in brine are key processes in the repository. For the isothermal spent nuclear fuel and vitrified waste scenario with multiple early failures considered, all models indicate little of the disposed radionuclides will migrate beyond the repository seal over the 100,000-year simulations. In general, the model output quantities have the largest differences over the short term and near the waste. Disparities between the models are believed to be due to differing simplifications from the conceptual model.

DECOVALEX↗
DOE OSTI2025

Pressure-driven density match nucleates metastable r8 phases from amorphous Si and Ge

The pressure–temperature phase behavior of covalent disordered solids such as amorphous silicon and germanium is complex. Questions remain on possible glass transitions, on polyamorphism via amorphous–amorphous transitions, on connections with liquid–liquid transitions, on structure-behavior relationships, and on their potential as precursor for novel methods for material discovery. Here we demonstrate experimentally the nucleation of a metastable, four-fold coordinated rhombohedral r8 phase from pure amorphous silicon and germanium upon room temperature compression at pressures below 10 GPa. Accompanying theory reveals a strong pressure-driven distortion of the bond angle transforming the starting tetrahedral low-density amorphous network to a distorted four-fold coordinated medium-density state. This state is of lower density than metallic high-density networks, resembles the crystalline r8 phase and initiates its nucleation. Our finding shows that polyamorphism is not the only possible transformation mode for these amorphous solids and that instead nucleation of interesting functional phases at potentially useful pressures is possible. Such novel access modes to metastable structures are critical for future exploitability and could be useful for other tetrahedral materials including carbon, where the related (bc8) post-diamond phase remains elusive. Our observed density match between an amorphous and a metastable crystalline phase clearly allows for a new phase transition pathway, while corresponding theory demonstrates how carefully validated atomistic simulations can guide prediction, discovery and synthesis of novel material structures.

Materials discovery↗
DOE OSTI2025

Influence of Compositional Complexity on Amorphization Resistance of Swift Heavy Ion Irradiated Titanate Pyrochlores

Compositionally complex oxides have garnered attention recently for their potential technological applications in harsh environments such as thermal barrier coatings and nuclear waste forms. Therefore, their response to extreme conditions, including high temperature and intense irradiation fields, must be thoroughly investigated. Here, the structural evolution of two pyrochlore oxides with comparable cation size ratio, r A /r B , (Yb 0.2 Er 0.2 Dy 0.2 Tb 0.2 Gd 0.2 ) 2 Ti 2 O 7 and Ho 2 Ti 2 O 7 , was evaluated after irradiation with 946 MeV Au ions up to a fluence of 8 × 10 12 ions/cm2 using synchrotron X-ray diffraction, transmission electron microscopy, and Raman spectroscopy. The overall radiation response is comparable for both titanate oxides and is dominated by a loss of crystallinity. When compared to a series of conventional titanate pyrochlore compositions, the amorphous track diameter of (Yb 0.2 Er 0.2 Dy 0.2 Tb 0.2 Gd 0.2 ) 2 Ti 2 O 7 is slightly larger than that of Ho2Ti2O7 and more in line with the diameter of the endmember with the maximum A-site cation size (Gd 2 Ti 2 O 7 ). Density functional theory calculations suggest that this behavior may be linked to local lattice distortions and the associated energetics of cation antisite formation. TEM and Raman analyses show that a disordered, crystalline shell surrounds the amorphous ion tracks in (Yb 0.2 Er 0.2 Dy 0.2 Tb 0.2 Gd 0.2 ) 2 Ti 2 O 7 , and the corresponding short-range structure resembles a weberite-type atomic arrangement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

High Pressure X-ray Diffraction and Equation of State of Hydrazine

Synchrotron X-ray diffraction has been used to investigate the structure and equation of state (EOS) of hydrazine (N 2 H 4 ) up to 54.3 GPa at 298 K. The diffraction patterns could be fit to a monoclinic unit-cell structure and put strong constraints on previously reported phase transitions documented by vibrational spectroscopy over this pressure range. Pressure–volume ( P–V ) data were fit using a Vinet EOS, yielding parameters: V 0 = 45.2 Å 3 /molecule (fixed), K 0 = 11.8(7) GPa, and K 0 ′ = 6.5(2). Previously measured high-pressure vibrational frequency shifts were used to estimate the vibrational free energy and model P–V–T isotherms from 0 to 1200 K. The results of the P–V–T isotherms are compared to existing shock Hugoniot data on hydrazine and 298 K isotherms for assemblages of possible decomposition products. This comparison suggests dissociation at high density under shock loading. Good correspondence was found between the static lattice EOS as calculated by the model and the previously reported EOS as calculated by density functional theory. Finally, these results resolve existing uncertainties about the EOS and crystal symmetry of hydrazine at high pressure and provide valuable baseline information on this important energetic material.

diffraction↗