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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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420 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Analytical Model for Steady Flow through a Finite Channel with One Porous Wall with Arbitrary Variable Suction or Injection

This paper presents an exact solution of two-dimensional laminar flow through a finite length channel with one porous wall. It improves upon previous solutions by (1) satisfying the no-slip boundary condition at the channel dead end, (2) adding a turbulent term to the porous wall boundary condition, (3) allowing for arbitrary variable suction or injection across the porous wall, and (4) model validation against new cryogenic liquid hydrogen and oxygen experimental data. Of particular interest in the current work is the modeling of cryogenic propellant flow through a porous liquid acquisition device (LAD) screen and channel inside a propellant tank. First, a detailed review of the literature is presented for previously attempted solutions to channel flow with one porous wall. Next, the governing equations, boundary conditions, and model assumptions are used to derive the analytical flow solution and present general model results for pressure and velocity fields within the channel. Then, the model solution is compared with horizontal LAD channel flow data in liquid oxygen as well as vertical LAD channel flow data in an inverted outflow configuration in liquid hydrogen. Model results are used to update the static cryogenic bubble point pressure model with a dynamic bubble point term which factors in enhanced convection and cooling at the screen during propellant outflow. Convective heat transfer at the LAD screen during outflow is also quantified by comparing model and data. The new analytical flow solution with the dynamic bubble point model is shown to compare well with available cryogenic experimental data

Navier Stokes Equations↗
DOE OSTI2026

Toward Tunable Magnetic Dirac Semimetals: Mn Doping of Cd 3 As 2

Magnetic impurities provide a route toward increasing functionality in electronic materials, often enabling new device concepts and architectures. In the case of topological semimetals, dilute magnetic doping presents a particularly attractive approach for inducing a Dirac to Weyl phase change via time reversal symmetry breaking. However, efforts to realize changes in the electronic structure have been limited by challenges in incorporating magnetic impurities into crystals with sufficiently high electron mobilities to detect them via transport or spectroscopic techniques. Here, we demonstrate incorporation of Mn into Cd 3 ⁢As 2 Dirac semimetal thin films grown by molecular beam epitaxy (MBE). Using As-rich growth conditions and [001] oriented thin films, Mn compositions of >10% are achieved. Films contain uniform distributions of Mn with no evidence of secondary phases and exhibit electron mobilities greater than 10 000–30 000 cm 2 /Vs up to 5% Mn. An evolution in the magnetization behavior along with the emergence of a second quantum oscillation frequency at low Mn concentrations provide preliminary evidence of Mn-induced changes in the electronic structure that are consistent with a Weyl phase. This work demonstrates the potential of magnetically doping topological semimetal thin films and a pathway for synthesizing them.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Radiation sensitivity of quartz crystal oscillators experiment for the Long Duration Exposure Facility (LDEF)

Factors determining the radiation sensitivity of quartz crystal oscillators were studied on NASA's LDEF. Quartz materials were examined in the transmission electron microscope (TEM) and classified as to their sensitivity to radiation damage by establishing the rate of damage caused by the electron beam in the microscope. Two types of materials, i.e., swept premium Q quartz and natural quartz were chosen because clear differences were observed in their response to the electron beam in the TEM studies. Quartz resonators were then fabricated from them, tested for frequency stability over a greater than 6 mo. period and flown on the LDEF satellite. After retrieval (more than 7 yrs in space) the stability of the resonators was again determined. All of the space exposed resonators fabricated with swept premium Q material exhibited a frequency shift above that of the control resonators: none of the resonators fabricated from the natural quartz materials exhibited such a shift. The significant differences observed between the two types of materials in both the ground-based TEM studies and the space radiation induced frequency changes suggest that there may be a correlation between the two observations.

J. S. Ahearn↗
DOE OSTI2025

pi-Extended Porphyrins: The Impact of Aromatic Heterocycles on the Properties of the Largely pi-Extended Structures (Final Report_UNT_SC0016766)

Largely π-extended carbon-rich materials represent fascinating yet challenging frontiers in chemistry and materials science as it offers numerous opportunities in molecular electronics. pi-Extended porphyrins possess unique set of electronic and photophysical properties and are very attractive for a wide range of applications. However, the synthesis and functionalization of pi-extended porphyrins had been very challenging. To explore and expand this intriguing research field, it is essential to develop synthetic tools to make them accessible. Funded by the Department of Energy Basic Energy Science, my laboratory addressed these synthetic challenges by developing concise and versatile methods for pi-extended porphyrins. Significant progress has been made in multiple directions, including fusing Polycyclic Aromatic Hydrocarbons (PAH), aromatic heterocycles, antiaromatic component, and cross-conjugated component to porphyrins as well as push-pull porphyrins. The availability of these methods has made it possible to rationally design and synthesize functionalized pi-extended porphyrins. Unprecedented electronic and photophysical properties have been discovered for these pi-extended porphyrins.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Magnetically and optically active edges in phosphorene nanoribbons

Abstract Nanoribbons, nanometre-wide strips of a two-dimensional material, are a unique system in condensed matter. They combine the exotic electronic structures of low-dimensional materials with an enhanced number of exposed edges, where phenomena including ultralong spin coherence times 1,2 , quantum confinement 3 and topologically protected states 4,5 can emerge. An exciting prospect for this material concept is the potential for both a tunable semiconducting electronic structure and magnetism along the nanoribbon edge, a key property for spin-based electronics such as (low-energy) non-volatile transistors 6 . Here we report the magnetic and semiconducting properties of phosphorene nanoribbons (PNRs). We demonstrate that at room temperature, films of PNRs show macroscopic magnetic properties arising from their edge, with internal fields of roughly 240 to 850 mT. In solution, a giant magnetic anisotropy enables the alignment of PNRs at sub-1-T fields. By leveraging this alignment effect, we discover that on photoexcitation, energy is rapidly funnelled to a state that is localized to the magnetic edge and coupled to a symmetry-forbidden edge phonon mode. Our results establish PNRs as a fascinating system for studying the interplay between magnetism and semiconducting ground states at room temperature and provide a stepping-stone towards using low-dimensional nanomaterials in quantum electronics.

Science & Technology - Other Topics↗
DOE OSTI2026

The CP-PAW Code Package for First-Principles Calculations from a User’s Perspective

CP-PAW is a combined electronic structure and ab initio molecular dynamics code to perform mixed quantum and classical simulations of atomistic condensed phase systems, such as solids, liquids, and molecular systems. As the name suggests, the CP-PAW code unifies the all-electron projector augmented-wave (PAW) method with the Car–Parrinello (CP) approach to determine not only the electronic and nuclear ground states of condensed matter but also to study their properties and dynamics. In addition to briefly outlining the underlying theory, the focus will be on the unique aspects of CP-PAW and how to correctly employ them as a user. How to install CP-PAW using the new build system will also be briefly mentioned.

Blöchl, Peter E [Institute for Theoretical Physic↗
DOE OSTI2026

Search for New Physics via Low-Energy Electron Recoils with a 4.2 Tonne-Year Exposure from the LZ Experiment

We report results from searches for new physics models through electron recoils using data collected by the LUX-ZEPLIN experiment during its first two science runs, with a total exposure of 4.2 tonne−years. The observed data are consistent with a background-only hypothesis. Constraints are derived for electromagnetic interactions of solar neutrinos, solar axionlike particles (ALPs), mirror dark matter, and the absorption of bosonic dark matter candidates. The inverse Primakoff process for 57 Fe deexcitation solar ALPs is considered for the first time. These results represent the most stringent constraints to date on keV-scale Primakoff and 57 Fe solar ALPs, bosonic dark matter, mirror dark matter, and neutrino millicharge, while remaining competitive for the other signal models investigated.

Axion-like particles↗
DOE OSTI1991

Recommendations for Establishing Local Rural Electrification Programs Using Photovoltaic Systems [Recomendaciones Para la Implantacidn de Programas Locales de Electrificacidn Rural con Sistemas Fotovoltaicos]

Photovoltaic (PV) technology is becoming one the best options for supplying electricity to rural communities far from electrical networks and which have a small and disperse demand for electricity. As the cost of the technology goes down and its development advances, opportunities for applying it continue to grow. As a result, in the near future we will probably see an increase in massive application programs of this technology in rural Mexico. This document presents some of the most relevant problems needing immediate solution to increase the possibility of success in establishing photovoltaic programs for rural electrification in Mexico. These problems are influenced by economic, technological, engineering, infrastructural, social and political issues. The paper presents the requirements for an industrial center based on PV technology, the accessibility of replacement parts and maintenance service, development of financial solutions, training of the users and introducing norms and technical regulations. The document summarizes the issue of rural electrification in Mexico, emphasizing the low population density in these areas. A brief description is given of photovoltaics showing different configurations that can be utilized for supplying electricity to the rural areas. The issues involved and recommendations for introducing PV systems to the rural area are described.

14 SOLAR ENERGY↗
DOE OSTI2024

Singular Hall Response from a Correlated Ferromagnetic Flat Nodal‐Line Semimetal

Abstract Topological quantum phases are largely understood in weakly correlated systems, which have identified various quantum phenomena, such as the spin Hall effect, protected transport of helical fermions, and topological superconductivity. Robust ferromagnetic order in correlated topological materials particularly attracts attention, as it can provide a versatile platform for novel quantum devices. Here, a singular Hall response arising from a unique band structure of flat topological nodal lines in combination with electron correlation in a van der Waals ferromagnetic semimetal, Fe 3 GaTe 2 , with a high Curie temperature ofT c = 347 K is reported. High anomalous Hall conductivity violating the conventional scaling, resistivity upturn at low temperature, and a large Sommerfeld coefficient are observed in Fe 3 GaTe 2 , which implies heavy fermion features in this ferromagnetic topological material. The scanning tunneling microscopy, circular dichroism in angle‐resolved photoemission spectroscopy, and theoretical calculations support the original electronic features of the material. Thus, low‐dimensional Fe 3 GaTe 2 with electronic correlation, topology, and room‐temperature ferromagnetic order appears to be a promising candidate for robust quantum devices.

Chemistry↗
DOE OSTI2024

Collective excitations and low-energy ionization signatures of relativistic particles in silicon detectors

Abstract Solid-state detectors with a low energy threshold have several applications, including searches of non-relativistic halo dark-matter particles with sub-GeV masses. When searching for relativistic, beyond-the-Standard-Model particles with enhanced cross sections for small energy transfers, a small detector with a low energy threshold may have better sensitivity than a larger detector with a higher energy threshold. In this paper, we calculate the low-energy ionization spectrum from high-velocity particles scattering in a dielectric material. We consider the full material response including the excitation of bulk plasmons. We generalize the energy-loss function to relativistic kinematics, and benchmark existing tools used for halo dark-matter scattering against electron energy-loss spectroscopy data. Compared to calculations commonly used in the literature, such as the Photo-Absorption-Ionization model or the free-electron model, including collective effects shifts the recoil ionization spectrum towards higher energies, typically peaking around 4–6 electron-hole pairs. We apply our results to the three benchmark examples: millicharged particles produced in a beam, neutrinos with a magnetic dipole moment produced in a reactor, and upscattered dark-matter particles. Our results show that the proper inclusion of collective effects typically enhances a detector’s sensitivity to these particles, since detector backgrounds, such as dark counts, peak at lower energies.

Physics↗
DOE OSTI2025

Detecting Magnon-phonon coupling in yttrium iron garnet with variable temperature STEM-EELS

Magnons, quanta of spin wave excitations in magnetically ordered materials, have been identified as candidates for several potentially transformative technologies in recent years. Macroscopic techniques, such as neutron scattering or Raman spectroscopy, can be used to identify and analyze magnons, but provide relatively delocalized information about the sample. Understanding how the bonding and local structure of a material interacts with, and influences, the magnon population in a material is a crucial step toward the ability to produce any real-world application utilizing magnons. By leveraging the combined spatial resolution of scanning transmission electron microscopy (STEM) and the energy resolution of monochromated electron energy-loss spectroscopy (EELS) nanoscale analysis of magnons can be performed. While the weak interaction of magnons with the electron beam makes magnon EELS challenging on reasonable timescales, magnon-phonon coupling can be leveraged to understand magnons through their effect on the more easily measured phonons. Here, we examine yttrium iron garnet (YIG) flakes, and demonstrate non-linear, temperature-dependent shifts in the phonon frequencies, consistent with previously described magnon-phonon coupling effects. The ability to measure the temperature-dependence of vibrational frequencies with high precision in individual nanoscale flakes, demonstrates the ability to study magnon-phonon coupling in the STEM with unprecedented spatial resolution.

Reifsnyder, Alexander [ORNL]↗
DOE OSTI2024

Three-dimensional dispersion in the type-II Dirac semimetals PtTe 2 and PdTe 2 revealed through circular dichroism in angle-resolved photoemission spectroscopy

PtTe 2 and PdTe 2 are among the first transition metal dichalcogenides that were predicted to host type-II Dirac fermions, exotic particles prohibited in free space. These materials are layered and air stable, which makes them top candidates for technological applications that take advantage of their anisotropic magnetotransport properties. Here, in this work, we provide a detailed characterization of the electronic structure of PtTe 2 and PdTe 2 using angle-resolved photoemission spectroscopy (ARPES) and density functional theory calculations, offering an alternative interpretation for one of the Dirac-like dispersions in these materials. Through the use of circularly polarized light, we report a different behavior of such dispersion in PdTe 2 compared to PtTe 2 , that we relate to a symmetry analysis of the dipole matrix element. Such analysis reveals a link between the observed circular dichroism and the different momentum-dependent terms in the dispersion of these two compounds, despite their close similarity in crystal structure. Additionally, our data show a clear difference in the circular dichroic signal for the type-II Dirac cones characteristic of these materials, compared to their topologically protected surface states. Our paper provides a useful reference for the ARPES characterization of other transition metal dichalcogenides with topological properties and illustrates the use of circular dichroism as a guide to identify the topological character and attributes of two otherwise equivalent band dispersions.

angle-resolved photoemission spectroscopy↗
NASA NTRS1987

Radiation hardening design of nuclear powered spacecraft

The design and operation of space systems utilizing nuclear fueled power systems must consider the radiation environment from the earliest stages of their design. A range of nuclear systems are being considered for present and future satellite systems capable of supplying tens of kilowatts to multimegawatt and generating a corresponding range of radiation environments. The effects of these radiations on electronics and materials can be minimized by implementing early design considerations which maximize the design efficiency and minimize the impact on system mass. Space systems design considerations for the radiation environment must include all sources in addition to the self induced gamma ray and neutron radiation. These include the orbital dependent environment from the high energy electron and protons encountered in natural space. The system trades which the designer must consider in the development of space platforms which utilize nuclear reactor power supplies are discussed.

R E Schmidt↗
DOE OSTI2026

Quantum control of Hubbard excitons

Quantum control of the many-body wavefunction is a central challenge in quantum materials research, as it could yield a precise control knob to manipulate emergent phenomena. Floquet engineering, the coherent dressing of quantum states with periodic non-resonant optical fields, has become an important strategy for quantum control. Most applications to solid-state systems have targeted weakly interacting or single-ion states, leaving the manipulation of many-body wavefunctions largely unexplored. Here, in this work, we use Floquet engineering to achieve quantum control of a strongly correlated Hubbard exciton in the one-dimensional Mott insulator Sr 2 CuO 3 . A nonresonant midinfrared optical field coherently dresses the exciton wavefunction, driving its rotation between bright and dark states. We use resonant third-harmonic generation to quantify ultrafast π/2 rotations on the Bloch sphere spanned by these exciton states. Our work advances the quest towards programmable control of correlated states and exciton-based quantum sensing.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Eutelsat 2: SAR-10009 nickel-hydrogen battery

The topics are presented in viewgraph form and include SAR-10009 design features, specific energy, analyses and testing, redundant structural insulation, electronics, corrosion protection, battery cell life cycle tests, and spacecraft launches.

Miller, Lee↗
DOE OSTI2026

Equation of state for Hf, Ta, W, Re, Os, Ir, Pt, and Au to multi-terapascal pressures from density-functional theory

We present the zero-temperature equation of state (pressure dependence of compression) and phase stability predictions for the 5d-transition metals obtained from all-electron density-functional theory (DFT) calculations. The results compare favorably with experiments but extend beyond current experimental capabilities to 10 TPa. Our study reveals phase changes that are explained from the calculated electronic structure. The cubic face-centered and body-centered structures (fcc and bcc), together with two-, three-, and four-layered hexagonal structures, play major roles under compression. The results’ dependence on the electron exchange and correlation in the DFT approach is investigated, and it is shown that the impact of the choice, while significant at lower pressures, diminishes in the terapascal regime. We further illustrate that the normal parabolic trends in atomic volume and bulk modulus with atomic number, due to the occupation of bonding and anti-bonding 5d states, break down at TPa pressures, suggesting drastically different chemical bonding at these extreme conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Complex-Valued Intermolecular Coupling Enables Directional Exciton Transport in Excitonic Circuits

Molecular systems capable of directing the flow of excitons are key to the development and optimization of optoelectronic materials. The transport of excitons across multiple molecules is governed by an intermolecular electronic coupling network. In this article, we consider the effects of complex-valued intermolecular electronic coupling on exciton transport. Here, we present a molecular motif capable of generating complex-valued coupling under excitation with circularly polarized light. We use theoretical modeling and simulation to illustrate how complex coupling can be leveraged to drive the rotational flux of excitons in cyclic molecular networks and direct the exciton population in branched molecular networks.

chromophores↗
NASA NTRS1966

Research Achievements Review, Volume II

Materials research - diffusion bonding methods, stress corrosion tests, nondestructive testing, material designs for electronic equipment, and nonmetallic material development.

Materials Science↗