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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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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum membrane phases in synthetic lattices of cold molecules or Rydberg atoms

Here, we calculate properties of dipolar interacting ultracold molecules or Rydberg atoms in a semisynthetic three-dimensional configuration—one synthetic dimension plus a two-dimensional real-space optical lattice or periodic microtrap array—using the stochastic Green's function quantum Monte Carlo method. Through a calculation of thermodynamic quantities and appropriate correlation functions, along with their finite-size scalings, we show that there is a second-order transition to a low-temperature phase in which two-dimensional “sheets” form in the synthetic dimension of internal rotational or electronic states of the molecules or Rydberg atoms, respectively. Simulations for different values of the interaction V, which acts between atoms or molecules that are adjacent both in real and synthetic space, allow us to compute a phase diagram. We find a finite-temperature transition at sufficiently large V as well as a quantum phase transition—a critical value V c below which the transition temperature vanishes.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1977

Microscopic Lagrangian description of warm plasmas. III - Nonlinear wave-particle interaction

The averaged-Lagrangian method is applied to nonlinear wave-particle interactions in an infinite, homogeneous, magnetic-field-free plasma. The specific example of Langmuir waves is considered, and the combined effects of four-wave interactions and wave-particle interactions are treated. It is demonstrated how the latter lead to diffusion in velocity space, and the quasilinear diffusion equation is derived. The analysis is generalized to the random phase approximation. The paper concludes with a summary of the method as applied in Parts 1-3 of the paper.

Galloway, J. J.↗
NASA NTRS1997

Limits to the Stability of Phase Transfer from Ground to Space

An alternative to having a primary frequency standard on board a spacecraft is to phase lock a simple oscillator on the spacecraft to a microwave tone transmitted from the ground. The received tone is transponded and rebroadcast to the ground. The round trip phase is measured, and used to correct for effects on time scales longer than the round trip light travel time. This method is used with the TDRSS relay satellites, and will be used for the Japanese space VLBI mission VSOP. There are several sources of error introduced by this process. The most important error source is a loss of the on board standard for all times that the satellite is out of contact with a ground tracking station. The fractional loss will be greater than 10% for almost any orbit, even with a network of several ground tracking stations, and it will be considerably worse for a low earth orbit. Only a geostationary orbit can eliminate this problem. Another error source is connected to the previous one. Round trip phase tracking can remove, after the fact, link effects during a tracking pass on time scales greater than the round trip light travel time. However, there will be a jump in the spacecraft clock when multiple passes are connected (e.g. when the spacecraft is reacquired after passing out of sight). These jumps will be equal in magnitude (except for a geometrical factor) to the accuracy with which the spacecraft orbit is known. With a GPS receiver and GPS-like beacon on a spacecraft, the orbit can be known to a few cm, giving timing jumps on the order of 100 picoseconds. Even with a geostationary orbit, these jumps would occur any time the link was interrupted due to mechanical or electrical problems.

Linfield, Roger P.↗
NASA NTRS1999

Cancellation of Laser Noise in Space-Based Interferometer Detectors of Gravitational Radiation

We presented a time-domain procedure for accurately cancelling laser noise fluctuations in an unequal-arm Michelson interferometer. The method involves separately measuring the phase of the returning light relative to the phase of the transmitted light in each arm. By suitable offsetting and differencing of these two time series, the common laser noise is cancelled exactly. The technique presented in this paper is general, in such that it can be implemented with any (Earth as well as space-based) unequal-arms Michelson interferometers,

Tinto, Massimo↗
DOE OSTI2026

Automated and High-Throughput Phase Separation Control for Supramolecular Polymer Blends Enabled by Machine Learning

Supramolecular polymer blends (SPBs) offer tunable morphologies that dictate their macroscopic properties, yet their rational design is limited by the absence of predictive structure−morphology models. Here, we introduce a data-driven highthroughput workflow that integrates modular polymer synthesis, robotic formulation, automated morphology characterization, and machine learning (ML) for accelerated SPB discovery. Using a plug-and-play synthetic strategy, 33 hydrogen-bonding endfunctional homopolymers were prepared and orthogonally combined to generate 260 SPBs in 1 day. A fully automated atomic force microscopy (AFM) pipeline enabled systematic imaging, producing 2340 morphology data sets with minimal human intervention. Domain spacings were extracted through complementary imageprocessing methods and used to train ML models. A support vector regression (SVR) model accurately predicted target phase-separation sizes (50, 100, and 150 nm), which were experimentally validated. This work demonstrates the power of coupling high-throughput experimentation with ML to accelerate morphology discovery and provides one of the first large-scale experimental data sets for supramolecular polymer systems.

ML-guided polymer design↗
DOE OSTI2025

Data-Efficient Methods for Determining Flory–Huggins χ Parameters in Multicomponent Polymer Formulations

Polymer formulations are essential in diverse applications including personal care products, coatings, paints, adhesives, and plastic materials. Designing these formulations requires navigating large, complex design spaces, where phase and self-assembly behavior critically impact performance. The Flory–Huggins χ parameter, which quantifies segmental miscibility, is widely used to parametrize the excess free energy of mixing in formulation models. In this work, we introduce two data-efficient, top-down methods for estimating χ parameters using the Random Phase Approximation (RPA): (i) Boundary Nonlinear Regression (Boundary-NLR), which fits theoretical spinodal boundaries to experimental phase boundaries, and (ii) Surrogate Model Inverse Parameter Estimation (SMIPE), which uses a Gaussian Process Classifier to fit sparse phase maps via a surrogate model. Both methods allow rapid parametrization of polymer field-theoretic models without the need for additional experiments. We evaluate these approaches on data sets involving polymer–solvent–nonsolvent ternary mixtures and block copolymer–solvent systems, demonstrating their robustness to experimental noise and their relevance for real-world formulation design.

copolymers↗
DOE OSTI2020

Determining Multi-Component Phase Diagrams with Desired Characteristics Using Active Learning

Herein, we demonstrate how to predict and experimentally validate phase diagrams for multi-component systems from a high-dimensional virtual space of all possible phase diagrams involving several elements based on small existing experimental data. The experimental data for bulk phases for known systems represents a sampling from this space, and screening the space allows multi-component phase diagrams with given design criteria to be built. This approach uses machine learning methods to predict phase diagrams and Bayesian experimental design to minimize experiments for refinement and validation, all within an active learning loop. The approach is proven by predicting and synthesizing the ferroelectric ceramic system (1-ω)(Ba 0.61 Ca 0.28 Sr 0.11 TiO 3 )-ω(BaTi 0.888 Zr 0.0616 Sn 0.0028 Hf 0.0476 O 3 ) with a relatively high transition temperature and triple point, as well as the NiTi-based pseudo-binary phase diagram (1-ω)(Ti 0.309 Ni 0.485 Hf 0.20 Zr 0.006 )-ω(Ti 0.309 Ni 0.485 Hf 0.07 Zr 0.068 Nb 0.068 ) designed for high transition temperature (ω ≤ 1). Each phase diagram is validated and optimized through only three new experiments. The complexity of these compounds is beyond the reach of today’s computational methods.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Role of Eu-Doping in the Electron Transport Behavior in the Zintl Thermoelectric Ca 5-x-y Yb x Eu y Al 2 Sb 6 System

A series of Eu-doped Zintl compounds belonging to theCa 5-x-y Yb x Eu y Al 2 Sb 6 (x = 0, 1.12; 0 ≤ y ≤ 0.63(2)) system have been successfully synthesized by both the arc-melting and the molten Pb-flux methods. All of the five title compounds initially crystallized in the Ca 5 Ga 2 As 6 -type phase (space group Pbam, Z = 2, Pearson code oP26) and maintained their original structure even after the post-heat treatment, unlike the recently reported n-type Zintl analogues in the Ca 5-x-y Yb x RE y Al 2 Sb 6 (RE = Pr, Nd, Sm) systems, which underwent a phase transition from the Ca 5 Ga 2 As 6 -type to the Ca 5 Al 2 Bi 6 -type phase after annealing. This research aimed to understand the origin of the structural preference of the title Ca 5-x-y Yb x Eu y Al 2 Sb 6 system, whether it was affected by the valence electron count or the cationic size. Electrical transport property measurements showed an increase in electrical conductivities and a decrease of Seebeck coefficients for Ca 4.89(1) Eu 0.11 Al 2 Sb 6 , Ca 4.82(1) Eu 0.18 Al 2 Sb 6 , and Ca 4.62(1) Eu 0.38 Al 2 Sb 6 , compared to the parental compound Ca 5 Al 2 Sb 6 . Hole effect measurements proved that these changes should be attributed to the reduced carrier concentration and enhanced carrier mobility. The comprehensive density functional theory calculations including electron density map analysis for the hypothetical model Ca 4.5 Eu 0.5 Al 2 Sb 6 revealed that the polarity between Al and Sb forming the anionic frameworks decreased as the Eu-dopants were introduced, which eventually affected the carrier mobility in the anionic frameworks. Thermal conductivity measurements proved that the Eu-doping successfully lowered the lattice thermal conductivity because of the enhanced atomic disordering. In conclusion, the magnetization measurements for Ca 4.37(2) Eu 0.63 Al 2 Sb 6 showed a typical Curie–Weiss behavior with weak antiferromagnetic nearest-neighbor interactions with θ p = -5.07 K.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Computationally Directed Discovery of MoBi 2

Incorporating bismuth, the heaviest element stable to radioactive decay, into new materials enables the creation of emergent properties such as permanent magnetism, superconductivity, and nontrivial topology. Understanding the factors that drive Bi reactivity is critical for the realization of these properties. Using pressure as a tunable synthetic vector, we can access unexplored regions of phase space to foster reactivity between elements that do not react under ambient conditions. Furthermore, combining computational and experimental methods for materials discovery at high-pressures provides broader insight into the thermodynamic landscape than can be achieved through experiment alone, informing our understanding of the dominant chemical factors governing structure formation. Herein, we report our combined computational and experimental exploration of the Mo–Bi system, for which no binary intermetallic structures were previously known. Using the ab initio random structure searching (AIRSS) approach, we identified multiple synthetic targets between 0–50 GPa. Highpressure in situ powder X-ray diffraction experiments performed in diamond anvil cells confirmed that Mo–Bi mixtures exhibit rich chemistry upon the application of pressure, including experimental realization of the computationally predicted CuAl 2 -type MoBi 2 structure at 35.8(5) GPa. Electronic structure and phonon dispersion calculations on MoBi 2 revealed a correlation between valence electron count and bonding in high-pressure transition metal–Bi structures as well as identified two dynamically stable ambient pressure polymorphs. Our study demonstrates the power of the combined computational–experimental approach in capturing highpressure reactivity for efficient materials discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Space-to-earth power transmission system

A preliminary analysis was conducted to establish the requirements of a space-to-earth microwave power transmission system. The need for accurate phase control on the transmitter was established and methods for assessing the impact of power density and thermal constraints on system performance were demonstrated. Potential radio frequency interference was considered. The sensitivity of transmission system scale to variations in power source, transportation and orbital fabrication and assembly costs was also determined.

Stevens, G. H.↗
NASA NTRS1987

Verification of an analytic modeler for capillary pump loop thermal control systems

A number of computer programs have been written to model two-phase heat transfer systems for space use. These programs support the design of thermal control systems and provide a method of predicting their performance in the wide range of thermal environments of space. Predicting the performance of one such system known as the capillary pump loop (CPL) is the intent of the CPL Modeler. By modeling two developed CPL systems and comparing the results with actual test data, the CPL Modeler has proven useful in simulating CPL operation. Results of the modeling effort are discussed, together with plans for refinements to the modeler.

Schweickart, R. B.↗
NASA NTRS2003

System Safety Hazards Assessment in Conceptual Program Trade Studies

Providing a program in the concept development phase with a method of determining system safety benefits of potential concepts has always been a challenge. Lockheed Martin Space and Strategic Missiles has developed a methodology for developing a relative system safety ranking using the potential hazards of each concept. The resulting output supports program decisions with system safety as an evaluation criterion with supporting data for evaluation. This approach begins with a generic hazards list that has been tailored for the program being studied and augmented with an initial hazard analysis. Each proposed concept is assessed against the list of program hazards and ranked in three derived areas. The hazards can be weighted to show those that are of more concern to the program. Sensitivities can be also be determined to test the robustness of the conclusions

Eben, Dennis M.↗
NASA NTRS2004

Surface Figure Measurement at 20K: Silicon Carbide and Cesic Mirrors

This report presents the facility, methods, and results of testing cryogenically-cooled spherical mirrors, using standard phase-shifting interferometry, at the Goddard Space Flight Center (GSFC). Two mirrors were supplied to GSFC by the European Space Technology Center, so that GSFC could render a second, independent cryo-measurement of their surface figures at 20K. These mirrors, produced by Galileo Avionica and its partners, demonstrate the technology of silicon carbide and SiC-composite lightweighted mirrors, designed for high accuracy (10 nm rms surface figure error) at both room temperature and 20K. The two mirrors provided for testing at GSFC include one made of sintered silicon carbide (mirror blank by Bettini), and a second made of the C/Si/SiC composite known as Cesic (supplied by ECM). Both mirrors are f/2 spheres with 150 mm clear aperture, and with integral mounts. At GSFC, the mirrors will be measured first at at room temperature, making use of standard techniques, with a predicted uncertainty of 2 nm. Then each mirror will be tested in the cryostat, down to 20K: first freely supported and, second, mounted to a Cesic plate that models a Cesic optical bench. The uncertainty of the resultant surface figure error is predicted to be about 5 nm rms. Details of the uncertainty budget are discussed in a related poster. GSFC's techniques and results can be usefully compared to the measurements performed on the same two mirrors by and for Galileo Avionica, who used a somewhat different test configuration and alignment approach.

Blake, Peter↗
NASA NTRS2013

Space Mission Concept Development Using Concept Maturity Levels

Over the past five years, pre-project formulation experts at the Jet Propulsion Laboratory (JPL) has developed and implemented a method for measuring and communicating the maturity of space mission concepts. Mission concept development teams use this method, and associated tools, prior to concepts entering their Formulation Phases (Phase A/B). The organizing structure is Concept Maturity Level (CML), which is a classification system for characterizing the various levels of a concept's maturity. The key strength of CMLs is the ability to evolve mission concepts guided by an incremental set of assessment needs. The CML definitions have been expanded into a matrix form to identify the breadth and depth of analysis needed for a concept to reach a specific level of maturity. This matrix enables improved assessment and communication by addressing the fundamental dimensions (e.g., science objectives, mission design, technical risk, project organization, cost, export compliance, etc.) associated with mission concept evolution. JPL's collaborative engineering, dedicated concept development, and proposal teams all use these and other CML-appropriate design tools to advance their mission concept designs. This paper focuses on mission concept's early Pre-Phase A represented by CMLs 1- 4. The scope was limited due to the fact that CMLs 5 and 6 are already well defined based on the requirements documented in specific Announcement of Opportunities (AO) and Concept Study Report (CSR) guidelines, respectively, for competitive missions; and by NASA's Procedural Requirements NPR 7120.5E document for Projects in their Formulation Phase.

Concept Maturity Levels (CMLs)↗
NASA NTRS1962

Application of Statistical Filter Theory to the Optimal Estimation of Position and Velocity on Board a Circumlunar Vehicle

Statistical filter theory is employed to develop a method for determining the best possible estimate of the position and velocity of a space vehicle in the midcourse phase of flight. Results of a computer simulation are given to illustrate the performance attainable. An on-board system is visualized in which the source of information is an arbitrary sequence of observations of space angles, corrupted by measurement errors. The scheme is in effect a dynamical time-varying filter, implemented by a digital computer, which processes the incoming data to compute an up-to-date optimal estimate of position and velocity.

Smith, Gerald L.↗
NASA NTRS2005

Cryogenic System for Interferometry of High-precision Optics at 20 K: Design and Performance

This report describes the facility and experimental methods at the Goddard Space Flight Center Optics Branch for the measurement of the surface figure of cryogenically-cooled spherical mirrors using standard phase-shifting interferometry, with a standard uncertainty below 2nm rms. Two developmental silicon carbide mirrors were tested: both were spheres with radius of curvature of 600 mm, and clear apertures of 150 mm. The mirrors were cooled within a cryostat, and the surface figure error measured through a fused-silica window. The GSFC team developed methods to measure the in-situ SFE at 20 K with a combined standard uncertainty below 2 nm rms and the change in SFE with temperature (the cryochange) with a combined standard uncertainty of 0.25 -- 0.75 nm rms. This paper will present the measurement facility, methods, and uncertainty analysis.

Blake,Peter↗
NASA NTRS1983

Feasibility study of an optically coherent telescope array in space

Numerical methods of image construction which can be used to produce very high angular resolution images at optical wavelengths of astronomical objects from an orbiting array of telescopes are discussed and a concept is presented for a phase-coherent optical telescope array which may be deployed by space shuttle in the 1990's. The system would start as a four-element linear array with a 12 m baseline. The initial module is a minimum redundant array with a photon-counting collecting area three times larger than space telescope and a one dimensional resolution of better than 0.01 arc seconds in the visible range. Later additions to the array would build up facility capability. The advantages of a VLBI observatory in space are considered as well as apertures for the telescopes.

Traub, W. A.↗
DOE OSTI2023

Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases

Metastable materials are abundant in nature and technology, showcasing remarkable properties that inspire innovative materials design. However, traditional crystal structure prediction methods, which rely solely on energetic factors to determine a structure’s fitness, are not suitable for predicting the vast number of potentially synthesizable phases that represent a local minimum corresponding to a state in thermodynamic equilibrium. Here, we present a new approach for the prediction of metastable phases with specific structural features, and interface this method with the XTALOPT evolutionary algorithm. Our method relies on structural features that include the local crystalline order (e.g., the coordination number or chemical environment), and symmetry (e.g., Bravais lattice and space group) to filter the breeding pool of an evolutionary crystal structure search. The effectiveness of this approach is benchmarked on three known metastable systems: XeN 8 , with a two-dimensional polymeric nitrogen sublattice, brookite TiO 2 , and a high pressure BaH 4 phase that was recently characterized. Additionally, a newly predicted metastable melaminate salt, P1¯WC 3 N 6 , was found to possess an energy that is lower than two phases proposed in a recent computational study. Here, the method presented here could help in identifying the structures of compounds that have already been synthesized, and developing new synthesis targets with desired properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗