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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2025

Physicochemical and biological characterization of a bispecific antibody in a CrossMab/KIH format that targets EGFR and VEGF-A

Introduction Bispecific antibodies (BsAbs) are a class of antibody therapeutics engineered in various molecular formats to bind two distinct antigens and potentially mediate multiple biological effects. These molecular formats are tailored to mediate specific mechanisms of action and possess unique physicochemical and biological properties that are necessary to assure product quality. In ovarian cancer (OC), both EGFR- and VEGF-A-mediated signaling pathways are often upregulated and cooperate to promote tumor growth and angiogenesis. Thus, inhibiting of EGFR- and VEGF-A pathways with a BsAb may provide synergistic anti-tumor activity. Methods Using publicly available sequences and applying immunoglobulin domain crossover (CrossMab) and knobs-into-holes (KIH) technologies, we generated a BsAb to simultaneously bind EGFR and VEGF-A (designated as anti-EGFR/VEGF-A BsAb). This BsAb served as a model for physiochemical and biological characterization of quality attributes that would be critical for the BsAb’s mechanisms of action. Our goal was to gain fundamental insights into BsAbs designed to target a receptor with one arm and a soluble ligand with the other, to support bioassay development and inform quality control strategies. Results Our data demonstrated that the CrossMab/KIH platform successfully produced a correctly assembled BsAb during cell culture. Characterization confirmed that the anti-EGFR/VEGF-A BsAb bound both EGFR and VEGF-A with comparable activity and affinity to the respective parental monoclonal antibodies. Functionally, the BsAb disrupted both EGF/EGFR and VEGF-A/VEGFR2 signaling pathways in OC and human umbilical vein endothelial cell (HUVEC) models. Furthermore, the BsAb effectively blocked angiogenic signaling driven by VEGF-A secreted from OC cells in a paracrine manner. Discussion Based on the combinatorial mechanism of action and our characterization findings, we concluded that two or more bioassays may be needed to accurately assess the activity of both arms of this type of BsAb.

Immunology↗

NASA NTRS1996

NASA battery testbed: A designed experiment for the optimization of LEO battery operational parameters

Simulation of spacecraft battery operation is implemented. Robust design experiment to obtain optimum battery operational parameters is performed. It is found that short term tests using robust design of experiments can provide guidelines for optimum battery operation. It is decided to use robust design approach to provide guidelines for battery operation on current spacecraft in orbit as batteries age (GRO, UARS, EUVE, TOPEX).

Deligiannis, F.↗

NASA NTRS1997

Studies of Flame Structure in Microgravity

The present research endeavor is concerned with gaining fundamental understanding of the configuration, structure, and dynamics of laminar premixed and diffusion flames under conditions of negligible effects of gravity. Of particular interest is the potential to establish and hence study the properties of spherically- and cylindrically-symmetric flames and their response to external forces not related to gravity. For example, in an earlier experimental study of the burner-stabilized cylindrical premixed flames, the possibility of flame stabilization through flow divergence was established, while the resulting one-dimensional, adiabatic, stretchless flame also allowed an accurate means of determining the laminar flame speeds of combustible mixtures. We have recently extended our studies of the flame structure in microgravity along the following directions: (1) Analysis of the dynamics of spherical premixed flames; (2) Analysis of the spreading of cylindrical diffusion flames; (3) Experimental observation of an interesting dual luminous zone structure of a steady-state, microbuoyancy, spherical diffusion flame of air burning in a hydrogen/methane mixture environment, and its subsequent quantification through computational simulation with detailed chemistry and transport; (4) Experimental quantification of the unsteady growth of a spherical diffusion flame; and (5) Computational simulation of stretched, diffusionally-imbalanced premixed flames near and beyond the conventional limits of flammability, and the substantiation of the concept of extended limits of flammability. Motivation and results of these investigations are individually discussed.

C K Law↗

NASA NTRS2015

Numerical Modeling of the Transient Chilldown Process of a Cryogenic Propellant Transfer Line

Before cryogenic fuel depots can be fully realized, efficient methods with which to chill down the spacecraft transfer line and receiver tank are required. This paper presents numerical modeling of the chilldown of a liquid hydrogen tank-to-tank propellant transfer line using the Generalized Fluid System Simulation Program (GFSSP). To compare with data from recently concluded turbulent LH2 chill down experiments, seven different cases were run across a range of inlet liquid temperatures and mass flow rates. Both trickle and pulse chill down methods were simulated. The GFSSP model qualitatively matches external skin mounted temperature readings, but large differences are shown between measured and predicted internal stream temperatures. Discrepancies are attributed to the simplified model correlation used to compute two-phase flow boiling heat transfer. Flow visualization from testing shows that the initial bottoming out of skin mounted sensors corresponds to annular flow, but that considerable time is required for the stream sensor to achieve steady state as the system moves through annular, churn, and bubbly flow. The GFSSP model does adequately well in tracking trends in the data but further work is needed to refine the two-phase flow modeling to better match observed test data.

Temperature Sensors↗

NASA NTRS2026

Development and Experimental Validation of a Path-Dependent Spin Forming Finite Element Model

Spin forming is an advanced manufacturing process widely used in the aerospace and defense sectors to produce lightweight, high-strength cylindrical components with tight dimensional tolerances. This study explores the applicability of the path-dependent Mechanical Threshold Stress (MTS) constitutive model by simulating the evolution of geometry, machining forces, and plastic deformation during the spin forming of a 10-mm thick 6061-O aluminum cylinder. While numerical modeling of spin forming has advanced substantially over the past decade, systematic verification and experimental validation of material models remain limited, particularly in predicting through-thickness process evolution. The MTS model, incorporating a Voce hardening rule, is employed for its ability to represent cyclic loading, rapidly varying temperature fields, and strain rates characteristic of spin forming. Numerical convergence analysis indicates discretization uncertainties between 0.3% and 9.2% for key quantities of interest. Experimental validation demonstrates that the MTS model, when implemented with a verified mesh, accurately reproduces both elastic and plastic behavior of 6061-O aluminum, predicting peak roller loads within 11–18% of measurements, geometric tolerances within 3%, and plastic strain distributions within 10% of experimental values. Collectively, these results establish a validated computational framework for predictive spin-forming simulations with quantified confidence, providing a foundation for extension to other alloys, geometries, and forming conditions.

Spin forming↗

NASA NTRS1982

Synthetic battery cycling techniques

The group of techniques that as a class are referred to as synthetic battery cycling are described with reference to spacecraft battery systems. Synthetic battery cycling makes use of the capability of computer graphics to illustrate some of the basic characteristics of operation of individual electrodes within an operating electrochemical cell. It can also simulate the operation of an entire string of cells that are used as the energy storage subsystem of a power system.

Leibecki, H.↗

NASA NTRS1986

Modeling Ni-Cd performance. Planned alterations to the Goddard battery model

The Goddard Space Flight Center (GSFC) currently has a preliminary computer model to simulate a Nickel Cadmium (Ni-Cd) performance. The basic methodology of the model was described in the paper entitled Fundamental Algorithms of the Goddard Battery Model. At present, the model is undergoing alterations to increase its efficiency, accuracy, and generality. A review of the present battery model is given, and the planned charges of the model are described.

Jagielski, J. M.↗

DOE OSTI2023

Microswimmers under the spotlight: interplay between agents with different levels of activity

Using simulations and experiments, we propose a protocol for the programmable templated self-assembly of light-activated self-propelled particles. Additionally, we identify the scaling relations for the assembly's characteristic times.

Chemistry↗

NASA NTRSDate not supplied

BEAST: Expanding Sustainable Data Infrastructure for High-Enthalpy Facilities

Reproducible, data-driven thermal protection system (TPS) research requires that experimental records from high-enthalpy testing be consistently structured, traceable, and accessible across campaigns and institutions. In practice, however, arcjet and plasma facilities data remain largely fragmented: raw diagnostics are stored in ad hoc formats, material sample histories are disconnected from test conditions, and metadata standards are absent, precluding systematic cross-campaign analysis and long-term reuse. BEAST (Backend for Experiment Analysis, Storage, and Traceability) is an open-source, web-based platform that addresses these limitations by providing a unified, queryable infrastructure for high-enthalpy ground-test data [1]. First presented at the 15th Ablation Workshop [2], BEAST has since undergone significant development. The platform ingests and structures multi-channel time-series diagnostics, facility configurations, and material property records within a common provenance model, ensuring end-to-end traceability from raw sensor acquisition to reduced experimental quantities. A versioned material library links specimen identity and processing history to the specific runs in which each sample was tested. An integrated modeling workbench enables training and evaluation of regression models directly on archived experimental data, supporting condition interpolation and the construction of empirical material response databases. Beyond its original deployment at NASA Ames Research Center, BEAST has been designed to be facility-agnostic, with ongoing efforts to extend its adoption to other facilities. Its modular architecture accommodates heterogeneous diagnostic setups and facility types, and its future open-source distribution allows institutions to build on a common data standard rather than maintaining isolated, bespoke solutions. BEAST is further integrated within a broader ecosystem of companion tools: arcjetCV [3] extracts recession rates and shock standoff distances from high-speed video using computer vision, and miniSTARscan [4] provides sub-minute, portable photogrammetric surface reconstruction of test articles before and after exposure. All tools share a common data schema, enabling seamless ingestion of surface geometry, imagery, and time-series data into a single, coherent experimental record.

Database↗

NASA NTRSDate not supplied

BEAST: Expanding Sustainable Data Infrastructure for High-Enthalpy Facilities

Database↗

NASA NTRS1996

Hypervelocity Impact Testing of Nickel Hydrogen Battery Cells

Nickel-Hydrogen (Ni/H2) battery cells have been used on several satellites and are planned for use on the International Space Station. In January 1992, the NASA Lewis Research Center (LeRC) conducted hypervelocity impact testing on Ni/H2 cells to characterize their failure modes. The cell's outer construction was a 24 mil-thick Inconel 718 pressure vessel. A sheet of 1.27 cm thick honeycomb was placed in front of the battery cells during testing to simulate the on-orbit box enclosure. Testing was conducted at the NASA White Sands Test Facility (WSTF). The hypervelocity gun used was a 7.6 mm (0.30 caliber) two-stage light gas gun. Test were performed at speeds of 3, 6, and 7 km/sec using aluminum 2017 spherical particles of either 4.8 or 6.4 mm diameter as the projectile. The battery cells were electrically charged to about 75 percent of capacity, then back-filled with hydrogen gas to 900 psi simulating the full charge condition. High speed film at 10,000 frames/sec was taken of the impacts. Impacts in the dome area (top) and the electrode area (middle) of the battery cells were investigated. Five tests on battery cells were performed. The results revealed that in all of the test conditions investigated, the battery cells simply vented their hydrogen gas and some electrolyte, but did not burst or generate any large debris fragments.

Frate, David T.↗

DOE OSTI2025

Thermally induced mimicry of quantum cluster excitations and implications for the magnetic transition in FePSe 3

In two dimensional magnets, the interplay of thermal fluctuations and spin anisotropy control the existence of long-range magnetic order. In the van der Waals antiferromagnets FePX 3 , orbital degeneracy in the 𝑡 2⁢𝑔 levels of the Fe 2+ ions in octahedral coordination yields strong uniaxial anisotropy, which stabilizes magnetic order up to 𝑇 ≈ 100 K. Recent inelastic neutron scattering measurements around the magnetic ordering transition have shown the existence of a broad spectrum of magnetic fluctuations with nontrivial momentum dependence, which has been interpreted as evidence for localized entangled cluster excitations. In this paper, we offer an alternative interpretation using classical nonlinear spin dynamics simulations. We present stochastic Landau Lifshitz dynamics simulations that reproduce the neutron scattering measurements of Chen et al. [npj Quantum Mater. 9, 40 (2024)] on FePSe 3 . These calculations faithfully explain the dynamical structure factor's momentum and energy dependence and point to a classical origin for the excitations observed in neutron spectroscopy and that the order-disorder transition can be understood in terms of thermal fluctuations overcoming the anisotropy energy.

Landau-Lifschitz-Gilbert equation↗

DOE OSTI2026

A Permanently Porous Chalcogen-Bonded Organic Framework

The nature of connectivity between constituent atomic or molecular building blocks is fundamental in shaping the properties and functionality of materials. The extrapolation of emergent interatomic interactions to enable functional materials has driven transformative technological advancements. However, the bonding interactions used in material design have been largely static since the emergence of dynamic covalent chemistry ~30 years ago. Here we demonstrate that non-covalent chalcogen bonding (Ch-bonding) is a distinct mode of interatomic connectivity for constructing functional materials by design. This is established by leveraging self-complementary assembly of 1,2,5-telluradiazole moieties to construct a honeycomb-type permanently porous Ch-bonded organic framework, assembled and stabilized solely through non-covalent Te...N contacts. Empirical and computational studies of electronic structure, structural healing and lattice dynamics highlight the pi-type electronic communication, controlled assembly and modulated lattice dynamics in Trip3Tez-I arising directly from the unique nature of the Te...N Ch-bonding that holds substantial implications for next generation crystalline semiconductors. In addition to introducing a distinct class of permanently porous frameworks, this work establishes Ch-bonding as a programmable molecular tool for constructing functional materials with distinct properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Direct Observation of Vortex Liquid Droplets in the Iron Pnictide Superconductor CaKFe 4 As 4 at 0.5T c

Type-II superconductors under magnetic fields remain in a quantum-coherent, non-dissipative state as long as vortices are pinned. Dissipation emerges when vortices depin, a process often driven by thermal fluctuations and commonly associated with a melting transition from a vortex solid to a vortex liquid. Macroscopic experiments almost always observe this transition close to the superconducting critical temperature 𝑇 𝑐 . However, how the vortex solid responds to thermal fluctuations at the scale of individual vortices, far below the melting transition, remains largely unexplored. Here, we use scanning tunneling microscopy (STM) to directly visualize vortices in the iron-based superconductor CaKFe 4 ⁢As 4 (𝑇 𝑐 ≈35 K ). We observe the formation of vortex liquid droplets—spatially localized regions where vortices exhibit strong thermal fluctuations—at temperatures as low as 0.5 𝑇 𝑐 . These results demonstrate that the onset of dissipation at the local scale occurs at temperatures significantly below 𝑇𝑐 in type-II superconductors, revealing a previously unrecognized regime of vortex dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties

Designing molecules with specific target properties remains a fundamental challenge in computational chemistry. While existing approaches show promise, most rely on simplified representations like SMILES strings or 2D graphs that lack essential three-dimensional geometric information. We present EvoDiffMol, a computational framework that integrates evolutionary algorithms with three-dimensional diffusion models for property-driven molecular generation. The method operates through adaptive evolutionary optimization, where population-based selection guides the generation process toward desired property landscapes. EvoDiffMol supports both unconstrained molecular design and scaffold-constrained generation that preserves fixed substructures while optimizing complementary regions. Comprehensive evaluation demonstrates exceptional performance, achieving the highest drug-likeness score (0.94) among all compared state-of-the-art methods while maintaining excellent validity, uniqueness, and novelty. Beyond single property optimization, the framework demonstrates flexible multi-property optimization capabilities, simultaneously controlling multiple molecular descriptors including synthetic accessibility, lipophilicity, topological polar surface area, and clinically relevant ADMET properties such as cardiotoxicity (hERG) and intestinal permeability (Caco-2). This adaptability spans from simple descriptors to practical pharmaceutical endpoints without requiring complete model retraining. The framework achieves precise control over target property values, generating molecules with properties closely matching specified targets for both single and multiple descriptors. Scaffold-constrained experiments preserve fixed molecular cores while maintaining effective property optimization. The three-dimensional representation offers advantages in maintaining structural validity during iterative optimization, with potential for geometry-aware applications in materials science and drug discovery.

3D molecular generation↗

DOE OSTI2025

Transforming Windows from Energy Liabilities to Zero-Energy Assets: Next-Generation Solutions for Buildings

Windows have traditionally contributed to a building's HVAC load, but they can also become a source of net energy gain or even operate as zero-energy components. For heating applications, highly insulating windows can harness more solar heat than the energy lost through them, transforming windows from energy liabilities to assets. Dynamic glazings provide further benefits by regulating solar heat gain, reducing cooling loads in summer and heating demands in winter. This simulation study focuses on developing the next generation of zero-energy windows (ZEW) for residential new construction. Through annual energy simulations across climate zones 1-8, ZEW performance benchmarks were established based on current code-level buildings, and we've identified the regions where meeting ZEW standards are most achievable. This work evaluates both static and dynamic window technologies, assessing their effects on annual energy use and cost. Key findings demonstrate that ZEW performance is achievable across diverse climate zones, with specific regional requirements. Most climate zones from 3-8 can achieve ZEW with specific configurations, while some warm climates (1-2) appear challenging for ZEW implementation. Climate zones 4-6 consistently allow for zero energy window implementation, offering multiple pathways through either static or dynamic window technologies. Colder climate zones (7-8) ZEW products allow for higher SHGC values while requiring low U-values.

Yu, Lili↗

NASA NTRSDate not supplied

Revisiting the Soyuz-1 Parachute Failure in the Context of Safety in the Modern Era

The Soyuz‑1 accident remains one of the most consequential parachute related failures in human spaceflight history and provides enduring lessons for modern Entry, Descent, and Landing (EDL) system design. Occurring during the height of the Cold War and the Space Race, the mission unfolded under extraordinary political and schedule pressure as the Soviet Union sought to maintain its early leadership in space achievements following the death of chief designer Sergei Korolev. Despite unresolved propulsion, electrical, and parachute system deficiencies, Soyuz‑1 proceeded to launch and immediately encountered critical inflight anomalies, including a failed solar panel deployment, attitude control issues, and communication dropouts. Upon reentry, a malfunction in the parachute system, driven by a primary main canopy that failed to deploy, and subsequent entanglement of the reserve main canopy with the primary drogue parachute, resulted in insufficient deceleration and the fatal crash of cosmonaut Vladimir Komarov. Subsequent investigations revealed deep rooted cultural and organizational issues within the Soviet space program, including inadequate testing, suppression of dissent, undocumented last minute design changes, and the absence of integrated parachute system verification. More than 200 design flaws were identified after the accident, and firsthand accounts, including those from Yuri Gagarin, highlighted widespread concern prior to launch. Over time, the Soviet program implemented substantial reforms: systematic design corrections, rigorous process documentation, and an extensive series of drop tests that ultimately transformed the Soyuz system into one of the world’s most reliable human-rated return vehicles. This paper examines the technical architecture of the Soyuz‑1 parachute system, reconstructs the likely deployment sequence and failure mechanism, and analyzes the cultural contributors that shaped the accident. The study draws parallels to modern spacecraft parachute development, emphasizing the critical importance of integrated system testing, transparent engineering culture, and continuous hardware surveillance. These lessons remain directly relevant to today’s NASA and Commercial Crew Programs (CCP), where the Government continues to refine its understanding of aggregate risk and strengthen overall astronaut safety in the face of increasingly complex parachute systems.

Aaron L Morris↗

DOE OSTI2026

Giant Exfoliation Induced Magnetic Coercivity in Fe 3 GaTe 2

Permanent magnets with strong anisotropy and high coercivity underpin modern information and energy technologies, yet rare-earth-free alternatives remain limited. Here, we show that thickness engineering via mechanical exfoliation induces hard magnetic behavior in the van der Waals ferromagnet Fe 3 GaTe 2 . Bulk crystals exhibit Curie temperatures above 350 K but negligible room-temperature coercivity. When thinned below ∼100 nm, the coercive field is dramatically enhanced, reaching nearly 1 T at room temperature for in-plane fields—comparable to conventional hard magnets. Micromagnetic analysis reveals a crossover in magnetization reversal from domain-mediated processes in bulk samples to quasi-coherent rotation in thin flakes, driven by increased effective anisotropy and suppressed domain formation. This thickness-dependent transition enables tuning of magnetic hardness without chemical modification. Combined with high saturation magnetization and robust room-temperature performance, Fe 3 GaTe 2 emerges as a promising rare-earth-free material for spintronic applications. Its layered structure further allows integration into van der Waals heterostructures, where large in-plane coercivity can stabilize magnetic states against perturbations and interlayer coupling, offering potential for high-density nonvolatile memory and domain-wall-based devices.

36 MATERIALS SCIENCE↗