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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Hydrogen Fuel Cell Electric Bus (FCEB) Evaluations in US Public Transit Service

The National Renewable Energy Laboratory (NREL) is a Department of Energy (DOE) national laboratory focused on renewable energy and energy efficiency. NREL has evaluated alternative fuel and advanced propulsion transit buses for DOE and the U.S. Department of Transportation's Federal Transit Administration (FTA). These evaluations are focused on determining the status of fuel cell systems and the corresponding infrastructure in transit applications to help DOE and FTA assess the progress toward technology readiness. For the last 19 years NREL has evaluated FCEBs in service around the United States and in Canada. The results of these evaluations have been published in numerous reports that compare FCEB performance to conventional technology as well as document the implementation experience and lessons learned by the transit agencies and their demonstration teams. Currently, 70 fuel cell buses are in active service in the US and 66 FCEBs are in development. NREL is evaluating a subset of the active FCEBs that includes three transit agencies demonstrating 25 fuel cell electric buses in California. One bus has exceeded 35,000 hours in service and 12 have exceeded 25,000 hours. Fuel economy for the current generation of FCEBs has improved 35% over the previous generation and is double that of conventional buses. Maintenance cost for FCEBs is equivalent to diesel and BEBs. The most up-to-date performance results will be presented, including fuel economy, availability, reliability, and operational costs.

bus↗
DOE OSTI2019

Nonequilibrium vibrational population and donor-acceptor vibrations affecting rates of radiationless transitions

Here, an analytical theory is developed for radiationless transitions in molecules characterized by nonequilibrium populations of their vibrational modes. Several changes to the standard transition-state framework follow from nonequilibrium conditions: (i) non-Arrhenius kinetics, (ii) the violation of the fluctuation-dissipation theorem (FDT), and (iii) the breakdown of the detailed balance. The violation of the FDT is reflected in the breakdown of relations between the first (Stokes shift) and second (inhomogeneous band-width) spectral moments, and of similar relations between reorganization parameters for radiationless transitions. The detailed balance between the forward and backward rates is not maintained, requiring a lower effective free energy of the reaction relative to the thermodynamic limit. Lastly, the model suggests that strong control of radiationless transitions can be achieved if a nonequilibrium population of vibrations modulating the donor-acceptor distance is produced.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Investigation of experimental signatures of spin glass transition temperature

We present a series of temperature and field-dependent magnetization studies of large single-crystal spin glass samples, focusing on both field-cooled (FC) and zero-field-cooled (ZFC) magnetization studies, as well as ac susceptibility measurements. Using the above experimental techniques we aim to understand the nature of spin glass transition in presence of a field, a key factor in understanding the properties of these systems. Building on previous studies that have explored magnetic signatures indicative of spin glass transitions, our research employs a systematic approach to refine the identification of this transition temperature. Through static and dynamic measurements, we aim to shed light on the open issues regarding the key markers of spin glass transitions, enhancing our understanding of these complex systems.

36 MATERIALS SCIENCE↗
NASA NTRS2023

Evaluation of Transport-Equation-Based Transition Models for High-Speed Boundary Layers Using OVERFLOW

Accurate modeling of laminar-turbulent transition is crucial for the design of hypersonic flight systems. However, the current transition models used in production CFD codes are insufficient for high-speed flows. Many extensions to low-speed models have been suggested; however, a thorough verification and validation effort is needed before these models can be used in design settings. Challenges include potentially missing details of the model implementation requirements and/or a complete specification of the input parameters needed to replicate the test findings. A meaningful assessment of the generalization capability of these models is also hindered by a lack of information regarding the specific flow configurations and associated grids employed for model calibration. As a key first step toward model verification, we present an independent assessment of two recently proposed models for high-speed transition, namely, a model within the SST-$\gamma$ framework and a model based on the SST-$\gamma-\nu_L$ equations. These models are implemented in the NASA OVERFLOW 2.3e solver and their performance in predicting first mode, second mode, and crossflow transition has been evaluated for several test cases in the supersonic and hypersonic regimes. Besides the test cases employed by the model developers, which could have also been used for model calibration, the present assessment includes supplementary configurations that contribute to an unbiased assessment of the models. The outcomes presented in this study indicate the potential for the models to be applied to high-speed flight configurations. Key steps toward future improvements to these models are also outlined.

High-speed flow↗
DOE OSTI2020

Hydrostatic and Uniaxial Pressure Tuning of Iron-Based Superconductors: Insights into Superconductivity, Magnetism, Nematicity, and Collapsed Tetragonal Transitions

Iron-based superconductors are well-known for their intriguing phase diagrams, which manifest a complex interplay of electronic, magnetic and structural degrees of freedom. Among the phase transitions observed are superconducting, magnetic, and several types of structural transitions, including a tetragonal-to-orthorhombic and a collapsed-tetragonal transition. In particular, the widely-observed tetragonal-to-orthorhombic transition is believed to be a result of an electronic order that is coupled to the crystalline lattice and is, thus, referred to asnematic transition. Nematicity is therefore a prominent feature of these materials, which signals the importance of the coupling of electronic and lattice properties. Correspondingly, these systems are particularly susceptible to tuning via pressure (hydrostatic, uniaxial, or some combination). We review efforts to probe the phase diagrams of pressure-tuned iron-based superconductors, with a strong focus on our own recent insights into the phase diagrams of several members of this mate-rial class under hydrostatic pressure. These studies on FeSe, Ba(Fe 1-x Co x ) 2 As 2 , Ca(Fe 1-x Co x ) 2 As 2 and CaK(Fe 1-x Ni x ) 4 As 4 were, to a significant extent, made possible by advances of what measurements can be adapted to the use under differing pressure environments. We point out the potential impact of these tools for the study of the wider class of strongly correlated electron systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Speciation of Transition Metal Dissolution in Electrolyte from Common Cathode Materials

Abstract Significant capacity loss has been observed across extended cycling of lithium‐ion batteries cycled to high potential. One of the sources of capacity fade is transition metal dissolution from the cathode active material, ion migration through the electrolyte, and deposition on the solid‐electrolyte interphase on the anode. While much research has been conducted on the oxidation state of the transition metal in the cathode active material or deposited on the anode, there have been limited investigations of the oxidation state of the transition metal ions dissolved in the electrolyte. In this work, X‐ray absorption spectroscopy has been performed on electrolytes extracted from cells built with four different cathode active materials (LiMn 2 O 4 (LMO), LiNi 0.5 Mn 1.5 O 4 (LNMO), LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811), and (x Li 2 MnO 3 *(1‐x) LiNi a Mn b Co c O 2 , with a+b+ c =1) (LMRNMC)) that were cycled at either high or standard potentials to determine the oxidation state of Mn and Ni in solution. Inductively coupled plasma‐mass spectrometry has been performed on the anodes from these cells to determine the concentration of deposited transition metal ions. While transition metal ions were found dissolved in all electrolytes, the oxidation state(s) of Mn and Ni were determined to be dependent on the cathode material and independent of cycling potential.

Rynearson, Leah↗
DOE OSTI2025

Millisecond Phase Transition Kinetics of Lyotropic Liquid Crystalline Nanoparticles Observed by Time‐Resolved Small Angle X‐ray Solution Scattering

This study investigates the dynamic behavior of lyotropic liquid crystal nanoparticles (LCNPs), which are widely recognized for their applications in drug delivery. By employing nanosecond near‐infrared laser pulse‐induced temperature jump (T‐jump) and time‐resolved X‐ray solution scattering, the structural dynamics of phase transitions in phytantriol‐based cubosomes and hexosomes are revealed. Both cubosome and hexosome LCNPs undergo phase transitions into noncrystalline phases at high temperatures. Their phase transition kinetics, occurring within milliseconds (ms) and involving one intermediate structure, are captured. Additionally, the reverse self‐assembly processes of LCNPs were observed, occurring on the timescale of a few hundred ms. To our knowledge, this is the first observation of LCNP T‐jump induced phase transitions on the ms timescale and their reverse self‐assembly. These findings provide valuable insights into the LCNP phase transition processes, with potential implications for drug delivery applications.

Chemistry↗
DOE OSTI2019

Influence of the electromagnetic field on the transition of a two-level system in a Gaussian confinement potential with LO phonon and of thickness effects

In this paper, the asymmetric Gaussian confinement potential and the parabolic confinement potential (PCP) are selected to describe the along growth direction and perpendicular to growth direction confinement potential (PC) of electron in a disk quantum dot, respectively. The phonons mean number and the energies of the ground and first excited states of the electron in a quantum dot with the polarization and the thickness effect are investigated by using Lee–Low–Pines unitary transformation and the Pekar-type variational method, and on the basis of the Fermi Golden Rule, the transition of the electron caused by the electromagnetic field is discussed. Our numerical results have displayed that the electric field and the magnetic field are an indispensable condition for the induced polaron transition. The weak electric field has a strong regulatory function on the transition. The influence of the well width L and the well depth V{sub 0} of the AGFCP on the mean number of phonons, energies and transition are important and interesting; it is also found in this work that the AGFCP is better than PCP in explaining the quantum size effect of QDs and modulating electron transition properties, respectively. This quantum system can be employed as a two-level quantum qubit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

SPATULA regulates floral transition and photomorphogenesis in a PHYTOCHROME B-dependent manner in Arabidopsis

Highlights: • SPT promotes floral transition in Arabidopsis. • SPT promotes flowering via FLC, SVP, FT and SOC1. • SPT regulates photomorphogenesis in a PHYB-dependent manner. Light is the most important exogenous stimulus regulating plant growth and various developmental processes. Phytochromes, especially PHYTOCHROME B (PHYB) mediates the various light-mediated processes in Arabidopsis. SPATULA (SPT) is an important transcription factor, which has been reported previously to participate in temperature-mediated transition from seed dormancy to germination. Here we investigate the function of SPT in the floral transition under long day conditions and photomorphogenesis in Arabidopsis. In this study, spt-2 shows significantly delayed flowering time. But mutation of SPT in the background of phyb-1 rescues the phenotype of spt-2. The flowering time of double mutant of spt-2/phyb-1 is similar with the wild type. These results indicate that SPT promotes the transition from vegetative stage to floral stage and it regulates this transition in a PHYB-dependent manner. With qRT-PCR analysis, it is found that SPT regulates flowering time via FLC, SVP, FT and SOC1. Furthermore, SPT also controls photomorphogenesis. spt-2 displays shortened hypocotyls and increased chlorophylls contents compared with the wild type. These phenotypes are also rescued in the double mutant of spt-2/phyb-1. These results indicate that SPT is also involved in photomorphogenic development in Arabidopsis and SPT regulates photomorphogenesis in a PHYB-dependent manner. Collectively, SPT is not only a temperature responder but it is also an important light regulator during plant growth and development.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Estimating the health benefits of planned public transit investments in Montreal

Highlights: • An integrated burden of transportation in association with planned modifications of the public transit infrastructure. • Based on our results planned public transit projects in Montreal will not reduce significantly the burden of transportation. • Future work needs to address land use and public transit projects needed to further reduce the burden of transportation. Since public transit infrastructure affects road traffic volumes and influences transportation mode choice, which in turn impacts health, it is important to estimate the alteration of the health burden linked with transit policies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Thermophysical properties and reversible phase transitions in yttrium hydride

In this study, the thermophysical properties of yttrium hydrides were investigated as a function of temperature (room temperature [RT] to 700°C) and hydrogen concentration (H/Y ratio ranges from 1.52 to 1.93). The results indicate that at the temperatures below 300°C, the hydrogen content did not have a significant influence on the thermal expansion, while the specific heat capacity, the thermal diffusivity, and the calculated thermal conductivity were slightly higher for the larger H/Y ratio. Between 300°C and 700°C, a reversible second-order endothermic transition in all measured thermal properties was observed. It was also found that the onset temperatures of the observed transition varied, with the composition having inverse dependence on the hydrogen content. The phase transition from ( α - Y + δ -YH x ) mixed phase to the δ -YH x single phase was excluded from the main contributors to the observed transition. An attempt was made to explain the behavior of the thermophysical properties at higher temperatures by considering the order–disorder transition as a result of hydrogen redistribution.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A melting-like process and the local structures during the anatase-to-rutile transition

Highlights: • The maximum size of anatase crystallites is more useful to describe the phase stability than the traditional critical size. • The melting-like process accelerates the phase transition from anatase to rutile. • The cis-coordinated anatase is transformed to trans-coordinated rutile by torsion & rotation of TiO{sub 6} octahedra in anatase. Phase transition of titanium oxide from anatase to rutile was investigated by using transmitted electron microscope (TEM), scanning electron microscope (SEM) and X-ray diffraction (XRD), in combination with the atomic pair distribution function (PDF) technique. The transition range is about 528–805 °C and the critical size is ~73 nm for the sol-gel samples calcined for 6 h. A melting-like process was evidently observed in the transition samples by SEM and it will speed up the phase transition. PDF reveals that anatase crystallites are packed by neighbouring TiO{sub 6} octahedra in a cis-coordinated way. Anatase crystallites larger than the critical size will be unstable and transform into rutile in a trans-coordinated way by torsion and rotation of part of octahedra and it will rapidly spread the entire crystallites driven by a melting-like process. We suggest the maximum size of anatase will be more technically useful for the description of the phase stability from anatase to rutile because unstable small anatase crystals are consumed during longer calcination process to grow the larger anatase crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ligand-Dependent Tuning of Interband and Intersubband Transitions of Colloidal CdSe Nanoplatelets

Although surface ligands of colloidal nanocrystals are known to adjust the absolute energy levels of valence and conduction bands of semiconductor nanocrystals, they typically have only minor influence on the band gap or effective masses. This changes in nanoplatelets. Ligand exchange of CdSe colloidal nanoplatelets induces large (up to 300 meV) bathochromic shifts of both interband and intersubband transitions. Here, three families of ligands-halides, thiolates, and phosphonates-are used to tune interband transitions, reflecting electron and hole confinement, across visible wavelengths and intersubband transitions, reflecting electron confinement, across the near-infrared spectral window. Furthermore, careful examination shows that delocalization from expansion of the nanoplatelet short axis, which was reported previously, cannot alone explain observed red shifts. Instead, comparison of intersubband, interband, and hole energy levels shows that ligand head group chemistry confers specific, idiosyncratic adjustments of the contribution of conduction and valence bands to the observed bathochromic shifts. Phosphonate ligands show the largest band gap reductions but the smallest red shift of intersubband transition energies; halide-exchanged samples displayed smaller reductions in band gap but large red shifts of intersubband transitions; thiolates fall in between. A related specificity is observed in hole states, which implicates ligand-responsive valence band curvature as an additional contribution driving optical changes. For nanoplatelets, surface ligand chemistry offers not only a tool to adjust the absolute energy level of conduction and valence bands but also an alternative route to preferential electron or hole band engineering that is normally achieved with inorganic shells.

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

Structure and Electrochemical Properties of Bronze Phase Materials Containing Two Transition Metals

Bronze phase transition-metal oxides have recently attracted attention as high-rate lithium-ion battery anode materials. Their crystal structures are distinguished by large tunnels and an open framework, facilitating lithium-ion diffusion and high-rate charge–discharge properties. The presence of two transition metals also offers a route to achieve high energy density from multielectron redox. In this paper, we report the chemistry, structure, and electrochemical properties of two different bronze phase compositions having the same stoichiometry: W 3 Nb 2 O 14 and Mo 3 Nb 2 O 14 . These materials provide insight into how the transition metals affect the electrochemical behavior and structural stability of bronze phase materials. Mo 3 Nb 2 O 14 exhibits greater than 1 electron redox per transition metal leading to lithium capacities above 200 mAh g –1 at C/2 but is unable to maintain this high capacity at high rates due to incomplete Mo redox reactions. In contrast, W 3 Nb 2 O14 exhibits reversible redox reactions and retains its open structure on cycling. This study highlights the potential of bronze phase materials containing two transition metals to exhibit fast charging properties with a high energy density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Controlling Interlayer Disorder Toward Reversible Phase Transition in a Layered Sodium Manganese Oxide Cathode

Sodium manganese oxides are promising Na-ion battery cathodes but they suffer from irreversible phase transitions during electrochemical reactions. Most strategies to date have aimed to suppress the phase transitions by stabilizing their layered structures through limiting the content of extractable Na + . Here, we conversely increase atomic disorder in the Na-birnessite, a layered sodium manganese oxide, and thereby modulate its phase transition behavior toward improved electrochemical reversibility. Our study reveals that Mn vacancies and Mn migrated into the interlayer affect interlayer local environment of Na + and water molecules consequently enhancing Na + mobility. We observe better capacity retention for disordered “D-Na-birnessite”, which undergoes a reversible phase transition from the birnessite-type structure to an O′3-type α-Na x MnO 2 -like structure through another intermediate metastable birnessite-type phase. In conclusion, this research highlights the positive effects of atomic disorder to regulate phase transition routes for achieving superior electrochemical reversibility, finally paving the way to overcoming the limits of layered oxide cathodes.

Kang, Seongkoo [Korea Univ., Seoul, (Korea, Republ↗
DOE OSTI2021

Tower-Based Remote Sensing Reveals Mechanisms Behind a Two-phased Spring Transition in a Mixed-Species Boreal Forest

The boreal forest is a major contributor to the global climate system, therefore, reducing uncertainties in how the forest will respond to a changing climate is critical. One source of uncertainty is the timing and drivers of the spring transition. Remote sensing can provide important information on this transition, but persistent foliage greenness, seasonal snow cover, and a high prevalence of mixed forest stands (both deciduous and evergreen species) complicate interpretation of these signals. We collected tower-based remotely sensed data (reflectance-based vegetation indices and Solar-Induced Chlorophyll Fluorescence [SIF]), stem radius measurements, gross primary productivity, and environmental conditions in a boreal mixed forest stand. Evaluation of this data set shows a two-phased spring transition. The first phase is the reactivation of photosynthesis and transpiration in evergreens, marked by an increase in relative SIF, and is triggered by thawed stems, warm air temperatures, and increased available soil moisture. The second phase is a reduction in bulk photoprotective pigments in evergreens, marked by an increase in the Chlorophyll-Carotenoid Index. Deciduous leaf-out occurs during this phase, marked by an increase in all remotely sensed metrics. The second phase is controlled by soil thaw. Our results demonstrate that remote sensing metrics can be used to detect specific physiological changes in boreal tree species during the spring transition. The two-phased transition explains inconsistencies in remote sensing estimates of the timing and drivers of spring recovery. Our results imply that satellite-based observations will improve by using a combination of vegetation indices and SIF, along with species distribution information.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Linking the Spin Transition of Ferric Iron in δ‐(Al,Fe)OOH to Water Storage in the Lower Mantle

As the most massive geochemical reservoir, the lower mantle affects the Earth's budget of volatile elements, including hydrogen or H 2 O. The properties of minerals in the lower mantle are further affected by changes in the electronic configurations of iron cations, that is, by spin transitions. The feedback between spin transitions and potential storage of H 2 O in solid hydrous phases in the lower mantle, however, remains unexplored. By combining high‐pressure nuclear resonant inelastic X‐ray scattering and high‐pressure high‐temperature X‐ray diffraction experiments, we constrained the thermal equation of state of δ‐(Al,Fe)OOH, a member of the phase H solid solution. Based on the derived thermal equation of state of δ‐(Al,Fe)OOH and the underlying thermodynamic model, we calculate the excess Gibbs free energy that arises from the spin transition of ferric iron in this compound and evaluate the effect on phase equilibria. The results of our analysis show that the spin transition of ferric iron in phase H may significantly reduce the thermodynamic activity and hence the concentration of H 2 O in a coexisting hydrous melt. As a consequence, nominally anhydrous minerals of the lower mantle may become dehydrated in the presence of phase H. Our analysis further suggests that, under certain conditions, the spin transition may expand the thermal stability of Fe 3+ ‐bearing phase H and create a geochemical link between the storage of H 2 O in phase H and ferric iron in the lower mantle.

Buchen, Johannes [Univ. of Bayreuth (Germany); Cal↗
DOE OSTI2019

Photoinduced, reversible phase transitions in all-inorganic perovskite nanocrystals

Significant interest exists in lead trihalides that present the perovskite structure owing to their demonstrated potential in photovoltaic, lasing, and display applications. These materials are also notable for their unusual phase behavior often displaying easily accessible phase transitions. In this work, time-resolved X-ray diffraction, performed on perovskite cesium lead bromide nanocrystals, maps the lattice response to controlled excitation fluence. These nanocrystals undergo a reversible, photoinduced orthorhombic-to-cubic phase transition which is discernible at fluences greater than 0.34 mJ cm -2 through the loss of orthorhombic features and shifting of high-symmetry peaks. This transition recovers on the timescale of 510 ± 100 ps. A reversible crystalline-to-amorphous transition, observable through loss of Bragg diffraction intensity, occurs at higher fluences (greater than 2.5 mJ cm -2 ). These results demonstrate that light-driven phase transitions occur in perovskite materials, which will impact optoelectronic applications and enable the manipulation of non-equilibrium phase characteristics of the broad perovskite material class.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗