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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Exploring extended scalar sectors with di-Higgs signals: A Higgs EFT perspective

We consider extended scalar sectors of the Standard Model as ultraviolet complete motivations for studying the effective Higgs self-interaction operators of the Standard Model effective field theory. We investigate all motivated heavy scalar models which generate the dimension-six effective operator, |H| 6 , at tree level and proceed to identify the full set of tree-level dimension-six operators by integrating out the heavy scalars. Of seven models which generate |H| 6 at tree level only two, quadruplets of hypercharge Y = 3 Y H and Y = Y H , generate only this operator. Next we perform global fits to constrain relevant Wilson coefficients from the LHC single Higgs measurements as well as the electroweak oblique parameters S and T. We find that the T parameter puts very strong constraints on the Wilson coefficient of the |H| 6 operator in the triplet and quadruplet models, while the singlet and doublet models could still have Higgs self-couplings which deviate significantly from the standard model prediction. To determine the extent to which the |H| 6 operator could be constrained, we study the di-Higgs signatures at the future 100 TeV collider and explore future sensitivity of this operator. As a result, projected onto the Higgs potential parameters of the extended scalar sectors, with 30 ab -1 luminosity data we will be able to explore the Higgs potential parameters in all seven models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Autonomous monitoring of algal biomass: Success stories and lessons learned from long-term field deployment

Autonomous, high-frequency monitoring of outdoor algal ponds is needed to quantify biomass productivity and detect culture decline in environments prone to contamination, grazers, and variable operating conditions. We report successes and lessons learned in translating a laboratory spectroradiometric monitoring approach to a multi-year autonomous field deployment at the Arizona Center for Algae Technology and Innovation (AzCATI). The system measures spectrally resolved pond reflectance by ratioing upwelling radiance from each raceway to simultaneous downwelling sky irradiance using fiber-coupled spectrometers. A physics-based reflectance model (ASHARP) is fit to each spectrum pair to estimate optical parameters, including a biomass-proxy coefficient (C a ) which enables near-real-time tracking of biomass accumulation and culture state at 2–5 min intervals. From May 2022 through September 2025 the platform operated continuously while scaling from two to six raceway ponds. Several strains of algae were monitored successfully, including the high productivity Tetraselmis striata and Picochlorum celeri. Transitioning data acquisition from a Windows laptop to a Raspberry Pi improved uptime from 57% (2022) to ~89% (2024–2025) and enabled routine real-time analysis. Further, we converted relative biomass estimates to absolute ash-free dry weight (AFDW) using experimentally-derived calibrations, providing field-relevant biomass predictions with conservative confidence bounds. These results demonstrate the feasibility of long-term, autonomous optical monitoring for well-mixed open-raceway algal cultivation and provide practical guidance for reliable field operation and scaling.

Katinas, Christopher Michael [Sandia National Labo↗
DOE OSTI2014

Influence of yttrium content on the location of rare earth ions in LYSO:Ce crystals

Single-crystal X-ray diffraction (SCD), X-ray fluorescence (XRF), inductively coupled plasma optical emission spectroscopy (ICP-OES) and X-ray excited luminescence (XEL) measurements were performed to investigate structure details and segregation coefficients of (Lu{sub 1−x}Y{sub x}){sub 2}SiO{sub 5}:Ce (x=0 at%, 8.7 at%, 25.7 at%, 44.7 at%, 65.7 at%, 87.9 at% and 100 at%). Y{sup 3+} cations were found to have a preferential occupation for RE1 site (7-oxygen-coordinated) over RE2 site (6-oxygen-coordinated), which results in a greater increase of cell parameter c than that of a with increase in Y content due to LYSO's microstructure characteristics. Results presented here revealed that the less the difference in electronegativity and effective ionic radius between the two ions, the easier substitution of one ion by the other, and hence the higher segregation coefficients. Besides, the contribution of luminescence of Ce1 and Ce2 in the whole XEL was evaluated, and the location of Ce{sup 3+} ion was discussed. - Graphical abstract: Segregation coefficients of (Lu{sub 1−x}Y{sub x}){sub 2}SiO{sub 5}:Cce:italic> at RT/ce:italic>. Display Omitted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Pressure-controlled magnetism in 2D molecular layers

Abstract Long-range magnetic ordering of two-dimensional crystals can be sensitive to interlayer coupling, enabling the effective control of interlayer magnetism towards voltage switching, spin filtering and transistor applications. With the discovery of two-dimensional atomically thin magnets, a good platform provides us to manipulate interlayer magnetism for the control of magnetic orders. However, a less-known family of two-dimensional magnets possesses a bottom-up assembled molecular lattice and metal-to-ligand intermolecular contacts, which lead to a combination of large magnetic anisotropy and spin-delocalization. Here, we report the pressure-controlled interlayer magnetic coupling of molecular layered compounds via chromium-pyrazine coordination. Room-temperature long-range magnetic ordering exhibits pressure tuning with a coercivity coefficient up to 4 kOe/GPa, while pressure-controlled interlayer magnetism also presents a strong dependence on alkali metal stoichiometry and composition. Two-dimensional molecular interlayers provide a pathway towards pressure-controlled peculiar magnetism through charge redistribution and structural transformation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Gravitational waves from first-order phase transition in a simple axion-like particle model

We consider a gauge-singlet complex scalar field Φ with a global U(1) symmetry that is spontaneously broken at some high energy scale ƒ a . As a result, the angular part of the Φ-field becomes an axion-like particle (ALP). We show that if the Φ-field has a nonzero coupling κ to the Standard Model Higgs boson, there exists a certain region in the (ƒ a , κ) parameter space where the global U(1) symmetry-breaking induces a strongly first order phase transition, thereby producing stochastic gravitational waves that are potentially observable in current and future gravitational-wave detectors. In particular, we find that future gravitational-wave experiments such as TianQin, BBO and Cosmic Explorer could probe a broad range of the energy scale 10 3 GeV ≳ ƒ a ≳ 108 GeV, independent of the ALP mass. Since all the ALP couplings to the Standard Model particles are proportional to inverse powers of the energy scale ƒ a (up to model-dependent O (1) coefficients), the gravitationalwave detection prospects are largely complementary to the current laboratory, astrophysical and cosmological probes of the ALP scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Third- and fourth-order virial coefficients of harmonically trapped fermions in a semiclassical approximation

Using a leading-order semiclassical approximation, we calculate the third- and fourth-order virial coefficients of nonrelativistic spin-1/2 fermions in a harmonic trapping potential in arbitrary spatial dimensions, and as functions of temperature, trapping frequency, and coupling strength. In this work, our simple, analytic results for the interaction-induced changes Δb 3 and Δb 4 agree qualitatively, and in some regimes quantitatively, with previous numerical calculations for the unitary limit of three-dimensional Fermi gases.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Electronic and magnetic properties of the topological semimetal candidate NdSbTe

ZrSiS-type materials represent a large material family with unusual coexistence of topological nonsymmorphic Dirac fermions and nodal-line fermions. As a special group of ZrSiS family, Ln SbTe ( L n = lanthanide rare - earth ) compounds provide a unique opportunity to explore new quantum phases due to the intrinsic magnetism induced by Ln . Here we report the single-crystal growth and characterization of NdSbTe, a previously unexplored Ln SbTe compound. NdSbTe has an antiferromagnetic ground state with field-driven metamagnetic transitions similar to other known Ln SbTe , but exhibits distinct enhanced electronic correlations characterized by large a Sommerfeld coefficient of 115 mJ / mol K 2 , which is the highest among the known Ln SbTe compounds. Furthermore, our transport studies have revealed the coupling with magnetism and signatures of Kondo localization. All these findings establish NdSbTe as a platform for observing phenomena arising from the interplay between magnetism, topology, and electron correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Strain engineering a persistent spin helix with infinite spin lifetime

Persistent spin textures (PSTs) in solid-state materials arise from a unidirectional spin-orbit field in momentum space and offer a route to deliver long carrier spin lifetimes sought for future quantum microelectronic devices. Nonetheless, few three-dimensional materials are known to host PSTs owing to crystal symmetry and chemical requirements. There are even fewer examples demonstrated experimentally. Here we report that high-quality persistent spin textures can be obtained in the polar point groups containing an odd number of mirror operations. We use representation theory analysis and electronic structure calculations to formulate general discovery principles to identify PSTs hidden in known complex ternary layered and perovskite structures with large electric polarizations. We then show some of these materials exhibit PSTs without requiring any special crystalline symmetries. This finding removes the limitation imposed by mirror-symmetry protected PSTs that has limited compound discovery. Our general design approach enables the pursuit of persistent spin helices in materials exhibiting the C 3 v crystal class adopted by many quantum materials exhibiting large Rashba coefficients.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermomagnetic properties of Bi 2 Te 3 single crystal in the temperature range from 55 K to 380 K

Magnetothermoelectric transport provides an understanding of coupled electron-hole-phonon current in topological materials and has applications in energy conversion and cooling. In this paper, we study the Nernst coefficient, the magneto-Seebeck coefficient, and the magnetoresistance of single-crystalline Bi 2 Te 3 under external magnetic field in the range of –3T to 3T and in the temperature range of 55 K to 380 K. Moreau's relation is employed to justify both the overall trend of the Nernst coefficient and the temperature at which this coefficient changes sign. We observe a nonlinear relationship between the Nernst coefficient and the applied magnetic field in the temperature range of 55 K to 255 K. An increase in both the Nernst coefficient and the magneto-Seebeck coefficient is observed as the temperature is reduced which can be attributed to the increased mobility of the carriers at lower temperatures. First-principles density functional theory calculations were carried out to physically model the experimental data including electronic and transport properties. Simulation findings agreed with the experiments and provide a theoretical insight to justify the measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Transport Properties of Magnetized High-Energy Density Plasma (Final Project Report)

This report summarizes results of project DE-SC0016159 "Transport Properties of Magnetized High-Energy-Density Plasma,'' which ran from 7/15/2016 - 7/14/2021. The primary objectives of the work, as stated in the original proposal, were to develop a theory that describes transport coefficients in magnetized high energy density plasmas and to test the theory with molecular dynamics (MD) simulations. The science challenge is that strong ion coupling, strong magnetization of electrons, and partial degeneracy of electrons, cause the system to be in a regime that is not well described by current theory. The particular processes that were to be investigated include: ion stopping power, diffusion, electron-ion temperature relaxation, thermal conduction and viscosity. All of the primary research objectives were accomplished during the course of this work. In addition, some unexpected results were discovered along the way that led to new and productive research directions. This work resulted in 17 publications in well-respected peer-reviewed journals (primarily Physics of Plasmas and Physical Review E), and 2 more are being prepared for publication. A few of these were selected as Editor's Picks and one was published as a Rapid Communication. Highlights of the research results include: Transport phase space: The first identification of the parameter space that defines fundamental transport regimes in terms of the Coulomb coupling and magnetization parameters. Mean force kinetic theory: Systematic derivation of a kinetic theory for strongly coupled plasmas based on a new expansion parameter of the BBGKY hierarchy. This provided the derivation of a theory that we had previously posed phenomenologically, and also revealed a new term that captures the equation of state properties at all coupling strengths. Transverse friction force: Discovery that the friction force on a test charge in a strongly magnetized plasma includes a component that is perpendicular to the motion of the test charge in the plane defined by the velocity and magnetic field vectors. Gyrofriction force: Discovery that the friction force on a test charge in a plasma that is both strongly magnetized and strongly coupled includes a component of the force in the direction of the Lorentz force. Kinetic theory for warm dense matter: Extension of the mean force kinetic theory to include partial electron degeneracy, so that it applies to warm dense matter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Noble Gas Transport in the MSRE

This study explores the relationship between the physicochemical parameter known as Henry’s gas constant and gas transport across a two-layer film interface. The investigation utilized the Gibbs free energy, incorporating surface and volume terms to elucidate trends in enthalpy and entropy. Notably, our findings align with experimental data and offer predictive insights into the Henry’s gas constants for helium and krypton, which hold significance for future experiments and theoretical developments. Furthermore, this study enhances the Gibbs free energy theory pertaining to the liquid–gas interface. It underscores the substantial contribution of noble gases in this region to volumetric energy as temperature increases. Additionally, we employed Monte Carlo simulations to analyze the effective thermal neutron multiplication factor, denoted as k eff . Our analysis reveals a linear correlation between graphite density and uniform density as a function of temperature. For the 1D Molten Salt Reactor Experiment (MSRE) system, we employed the Mole code to conduct heat and mass transfer calculations. These computations enable us to ascertain the distribution of fuel temperature based on coefficients and thermal properties. We also studied delayed neutron precursors during fuel cycling, taking into account the drift of cycling fuel through Mole–Griffin coupling. Our model represents k eff and β eff across various volume flow rates and salinity compositions. Finally, this study leveraged xenon-135 for continuous on-line monitoring of fuel salts to investigate the impact of steady-state xenon-135 on the MSRE and to better understand its distribution. These efforts build upon previous research related to removal processes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Parametric Synthesis of Supply Drives for CNC Metalworking Machines

Parametric synthesis of a two-mass supply drive is considered, in the case where one mass is the moment of inertia of the drive’s rotating part, while the other is the reduced moment of inertia of the drive’s linearly moving part. The elastic coupling between the masses determines the axial rigidity of the drive. In synthesis, the parameters of the electromechanical system are determined by setting the coefficients of the characteristic polynomial equal to the coefficients of the polynomial approximating an ideal low-frequency filter.

42 ENGINEERING↗
DOE OSTI2019

IMPLEMENTATION OF DETAILED CHEMISTRY MECHANISMS IN ENGINE SIMULATIONS

The stiffness of large chemistry mechanisms has been proved to be a major hurdle toward predictive engine simulations. As a result, detailed chemistry mechanisms with a few thousand species need to be reduced based on target conditions so that they can be accommodated within the available computational resources. The computational cost of simulations typically increases super-linearly with the number of species and reactions. This work aims to bring detailed chemistry mechanisms within the realm of engine simulations by coupling the framework of unsteady flamelets and fast chemistry solvers. A previously developed tabulated flamelet model (TFM) framework for nonpremixed combustion was used in this study. The flamelet solver consists of the traditional operator-splitting scheme with variable coefficient ordinary differential equation (ODE) solver (VODE) and a numerical Jacobian for solving the chemistry. In order to use detailed mechanisms with thousands of species, a new framework with the Livermore solver for ODEs in sparse form (LSODES) chemistry solver and an analytical Jacobian was implemented in this work. Results from 1D simulations show that with the new framework, the computational cost is linearly proportional to the number of species in a given chemistry mechanism. As a result, the new framework is 2-3 orders of magnitude faster than the conventional variable coefficient ODE (VODE) solver for large chemistry mechanisms. This new framework was used to generate unsteady flamelet libraries for ndodecane using a detailed chemistry mechanism with 2755 species and 11,173 reactions. The engine combustion network (ECN) spray A experiments, which consist of an igniting n-dodecane spray in turbulent, high-pressure engine conditions are simulated using large eddy simulations (LES) coupled with detailed mechanisms. A grid with 0.06 mm minimum cell size and 22 x 10(6) peak cell count was implemented. The framework is validated across a range of ambient temperatures against ignition delay and liftoff lengths (LOLs). Qualitative results from the simulations were compared against experimental OH and CH2O planar laser-induced fluorescence (PLIF) data. The models are able to capture the spatial and temporal trends in species compared to those observed in the experiments. Quantitative and qualitative comparisons between the predictions of the reduced and detailed mechanisms are presented in detail. The main goal of this study is to demonstrate that detailed reaction mechanisms (similar to 1000 species) can now be used in engine simulations with a linear increase in computation cost with number of species during the tabulation process and a small increase in the 3D simulation cost.

Kundu, Prithwish↗
DOE OSTI2017

Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].

The motion of nanoparticles (NPs) in entangled melts of linear polymers and non-concatenated ring polymers are compared by large-scale molecular dynamics simulations. The comparison provides a paradigm for the effects of polymer architecture on the dynamical coupling between NPs and polymers in nanocomposites. Strongly suppressed motion of NPs with diameter d larger than the entanglement spacing a is observed in a melt of linear polymers before the onset of Fickian NP diffusion. This strong suppression of NP motion occurs progressively as d exceeds a, and is related to the hopping diffusion of NPs in the entanglement network. In contrast to the NP motion in linear polymers, the motion of NPs with d > a in ring polymers is not as strongly suppressed prior to Fickian diffusion. The diffusion coefficient D decreases with increasing d much slower in entangled rings than in entangled linear chains. NP motion in entangled non-concatenated ring polymers is understood through a scaling analysis of the coupling between NP motion and the self-similar entangled dynamics of ring polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Optical Properties of Spiroid C{sub 300}

Calculation results of the electronic spectrum of carbon nanospiroid C{sub 300} are presented. The π-electron structure of the spiroid is calculated using the strong coupling method, in which the matrix element of the exchange interaction of neighboring electrons (the resonance integral) is considered as being dependent on the local curvature of the spiroid surface. The optical absorption coefficient is calculated in the framework of the Tautz model and the result is compared with experimental and astrophysical observational data. The calculated and experimental data are in good agreement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Weak anti-localization of two-dimensional holes in germanium beyond the diffusive regime

Gate-controllable spin-orbit coupling is often one requisite for spintronic devices. For practical spin field-effect transistors, another essential requirement is ballistic spin transport, where the spin precession length is shorter than the mean free path such that the gate-controlled spin precession is not randomized by disorder. In this letter, we report the observation of a gate-induced crossover from weak localization to weak anti-localization in the magneto-resistance of a high-mobility twodimensional hole gas in a strained germanium quantum well. From the magneto-resistance, we extract the phase-coherence time, spin-orbit precession time, spin-orbit energy splitting, and cubic Rashba coefficient over a wide density range. The mobility and the mean free path increase with increasing hole density, while the spin precession length decreases due to increasingly stronger spin-orbit coupling. As the density becomes larger than , 6 x 10 11 cm -2 , the spin precession length becomes shorter than the mean free path, and the system enters the ballistic spin transport regime. We also report here the numerical methods and code developed for calculating the magnetoresistance in the ballistic regime, where the commonly used HLN and ILP models for analyzing weak localization and anti-localization are not valid. These results pave the way toward siliconcompatible spintronic devices.

42 ENGINEERING↗
DOE OSTI2025

Enhanced magnetic and optical properties of Y 3 Fe 5 O 12 (YIG) films with Au nanoinclusions

Y 3 Fe 5 O 12 (YIG) thin films are well known for their ferrimagnetic insulating property and low Gilbert damping coefficient (α), allowing them to be used for various spintronic applications and as magneto-optical isolators for photonic devices. Instead of doping, incorporation of plasmonic metals as nanoinclusions could be a promising route for improved magneto-optical coupling properties. In this work, YIG–Au nanocomposites have been deposited with ferrimagnetic insulating YIG as the matrix and Au nanoinclusions which introduce plasmonic absorption, optical anisotropy, and hyperbolic properties. Films with varying Au nanoinclusion densities have been processed and annealed to compare with the as-deposited ones. The films that had low Au nanoinclusion density and were annealed presented a lower magnetic damping coefficient of 2.84 × 10 −4 than the pure YIG film (9.66 × 10 −4 ). The as-deposited film with the highest Au density shows the strongest hyperbolic properties among all samples. These results demonstrate that both magnetic damping and optical properties can be tuned through deposition conditions in YIG–Au nanocomposite thin films, allowing for a balance of both properties. This YIG–Au nanocomposite system presents promising potential in next-generation opto-spintronic devices.

Quigley, Lizabeth [Purdue Univ., West Lafayette, I↗
DOE OSTI2016

Interdiffusion in Ternary Magnesium Solid Solutions of Aluminum and Zinc

Al and Zn are two of the most common alloying elements in commercial Mg alloys, which can improve the physical properties through solid solution strengthening and precipitation hardening. Diffusion plays a key role in the kinetics of these and other microstructural design relevant to Mg-alloy development. However, there is a lack of multicomponent diffusion data available for Mg alloys. Through solid-to-solid diffusion couples, diffusional interactions of Al and Zn in ternary Mg solid-solution at 400° and 450 °C were examined by an extension of the Boltzmann-Matano analysis based on Onsager s formalism. Concentration profiles of Mg-Al-Zn ternary alloys were determined by electron probe microanalysis, and analyzed to determine the ternary interdiffusion coefficients as a function of composition. Zn was determined to interdiffuse the fastest, followed by Mg and Al. Appreciable diffusional interactions among Mg, Al, and Zn were observed by variations in sign and magnitude of cross interdiffusion coefficients. In particular, Zn was found to significantly influence the interdiffusion of Mg and Al significantly: the and ternary cross interdiffusion coefficients were both negative, and large in magnitude, in comparison to and , respectively. Al and Mg were observed influence the interdiffusion of Mg and Al, respectively, with positive and interdiffusion coefficients, but their influence on the Zn interdiffusion was negligible.

36 MATERIALS SCIENCE↗