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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Suppressing Universal Cathode Crossover in High‐Energy Lithium Metal Batteries via a Versatile Interlayer Design**

Abstract The universal cathode crossover such as chemical and oxygen has been significantly overlooked in lithium metal batteries using high‐energy cathodes which leads to severe capacity degradation and raises serious safety concerns. Herein, a versatile and thin (≈25 μm) interlayer composed of multifunctional active sites was developed to simultaneously regulate the Li deposition process and suppress the cathode crossover. The as‐induced dual‐gradient solid‐electrolyte interphase combined with abundant lithiophilic sites enable stable Li stripping/plating process even under high current density of 10 mA cm −2 . Moreover, X‐ray photoelectron spectroscopy and synchrotron X‐ray experiments revealed that N‐rich framework and CoZn dual active sites can effectively mitigate the undesired cathode crossover, hence significantly minimizing Li corrosion. Therefore, assembled lithium metal cells using various high‐energy cathode materials including LiNi 0.7 Mn 0.2 Co 0.1 O 2 , Li 1.2 Co 0.1 Mn 0.55 Ni 0.15 O 2 , and sulfur demonstrate significantly improved cycling stability with high cathode loading.

25 ENERGY STORAGE↗
DOE OSTI2019

What affects government planning for climate change adaptation: Evidence from the U.S. states

Abstract As climate change unfolds, formal planning for climate adaptation is emerging at all levels of governments. This paper examines the factors that lead U.S. state governments to develop comprehensive adaptation plans. Using an event history analysis, we find that a state is more likely to engage in adaptation planning we find that a state is more likely to engage in adaptation planning when it experienced more extreme weather events recently, has more economic activities in coastal regions, or when it has high levels of incomes and civic engagement. We also show that political ideology plays a critical role in subnational adaptation decision making. A state is less likely to pursue adaptation planning when it has a Republican governor or has a lack of preference for environmental legislations. In addition to the internal characteristics, our study further provides evidence of the external influence from other nearby adapting states through spatial policy diffusion. These findings shed light on the motivation for and obstacles to a state's adoption of adaptation policy and also provide implications for environmental federalism.

Miao, Qing↗
DOE OSTI2016

Assessment of structural, thermal, and mechanical properties of portlandite through molecular dynamics simulations

The structural, thermal, and mechanical properties of portlandite, the primary solid phase of ordinary hydrated cement paste, are investigated using the molecular dynamics method. To understand the effects of temperature on the structural properties of portlandite, the coefficients of thermal expansion of portlandite are determined in the current study and validated with what reported from the experimental tests. The atomic structure of portlandite equilibrated at various temperatures is then subjected to uniaxial tensile strains in the three orthogonal directions and the stress-strain curves are developed. Based on the obtained results, the effect of the direction of straining on the mechanical properties of portlandite is investigated in detail. Structural damage analysis is performed to reveal the failure mechanisms in different directions. The energies of the fractured surfaces are calculated in different directions and compared to those of the ideal surfaces available in the literature. The key mechanical properties, including tensile strength, Young's modulus, and fracture strain, are extracted from the stress-strain curves. The sensitivity of the obtained mechanical properties to temperature and strain rate is then explored in a systematic way. This leads to valuable information on how the structural and mechanical properties of portlandite are affected under various exposure conditions and loading rates. - Graphical abstract: Fracture mechanism of portlandite under uniaxial strain in the z-direction. - Highlights: • The structural, thermal, and mechanical properties of portlandite are investigated. • The coefficients of thermal expansion are determined. • The stress-strain relationships are studied in three orthogonal directions. • The effects of temperature and strain rate on mechanical properties are examined. • The plastic energy required for fracture in the crystalline structure is reported.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A simple method to fabricate an NIR detector by PbTe nanowires in a large scale

Highlights: • PbTe nanowires were grown by tellurization of the Pb sheets for the first time. • It was observed a band gap value for the PbTe nanostructures in the NIR region. • NIR detector was fabricated in a large scale using a simple method. • Effect of Te concentration on morphology of PbTe nanostructures was investigated. - Abstract: A simple method was used to fabricate a near-infrared (NIR) detector using PbTe nanostructures. Samples were synthesized by tellurization of lead sheets in a tube furnace. PbTe nanostructures with wires and flakes shapes were grown on the lead sheets that were placed at 300 and 330 °C, respectively, while, PbTe nanoporous were grown at 360 and 390 °C. X-ray diffraction patterns and X-ray photoelectron spectra results indicated that, the PbTe phase was formed in all samples. UV–vis diffuse reflectance spectra measurements showed a band gap for the PbTe nanostructures in the near-infrared region of the electromagnetic spectrum. Actually, the results indicated that, the band gap values of the PbTe nanowires and nanoporous were 1.54 eV and 1.61 eV, respectively. Finally, the PbTe nanostructures were used as a simple photoresponse device under a red light source. The photoresponse results revealed, PbTe nanowires are promising for photoelectrical applications in the NIR region.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Carvedilol prevents functional deficits in peripheral nerve mitochondria of rats with oxaliplatin-evoked painful peripheral neuropathy

Oxaliplatin use as chemotherapeutic agent is frequently limited by cumulative neurotoxicity which may compromise quality of life. Reports relate this neurotoxic effect to oxidative stress and mitochondrial dysfunction in peripheral nerves and dorsal root ganglion (DRG). Carvedilol is an antihypertensive drug, has also been appreciated for its antioxidant and mitoprotective properties. Carvedilol co-treatment did not reduce the anti-tumor effects of oxaliplatin in human colon cancer cells (HT-29), but exhibited free radical scavenging activity against oxaliplatin-induced oxidative stress in neuronal cells (Neuro-2a). Hence, the present study was designed to investigate the effect of carvedilol in the experimental model of oxaliplatin-induced peripheral neuropathy (OIPN) in Sprague-Dawley rats. Oxaliplatin reduced the sensory nerve conduction velocity and produced the thermal and mechanical nociception. Carvedilol significantly (P < 0.001) attenuated these functional and sensorimotor deficits. It also counteracted oxidative/nitrosative stress by reducing the levels of nitrotyrosine and improving the mitochondrial superoxide dismutase expression in both sciatic nerve and DRG tissues. It improved the mitochondrial function and prevented the oxaliplatin-induced alteration in mitochondrial membrane potential in sciatic nerve thus prevented loss of intra epidermal nerve fiber density in the foot pads. Together the results prompt the use of carvedilol along with chemotherapy with oxaliplatin to prevent the peripheral neuropathy. - Graphical abstract: Schematic representation neuroprotective mechanisms of carvedilol in oxaliplatin-induced peripheral neuropathy. - Highlights: • Oxaliplatin-induced mitochondrial dysfunction causes neurotoxicity. • Mitochondrial dysfunction leads to bioenergetic and functional deficits. • Carvedilol alleviated oxaliplatin-induced behavioural and functional changes. • Targeting mitochondria with carvedilol attenuated neuropathic pain.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Environmental assessment of alternative treatment schemes for energy and nutrient recovery from livestock manure

Highlights: • Energy and nutrient recovery from manure was environmentally evaluated. • Direct digestate application is not always feasible. • AD+centrifugation+N-removal was the most environmentally favourable scenario. • N-removal through HRAS+PNA considerably improved the environmental performance. • UF membrane+acidification were needed to improve struvite quantity and quality. - Abstract: The application of livestock manure on agricultural land is being restricted due to its significant content of phosphorus (P) and nitrogen (N), leading to eutrophication. At the same time, the growing demand for N and P mineral fertilizers is increasing their production costs and causing the depletion of natural phosphate rock deposits. In the present work, seven technologically feasible treatment schemes for energy (biogas) and nutrient recovery (e.g., struvite precipitation) and/or removal (e.g., partial nitritation/anammox) were evaluated from an environmental perspective. In general, while approaches based solely on energy recovery and use of digestate as fertilizer are commonly limited by community regulations, strategies pursuing the generation of high-quality struvite are not environmentally sound alternatives. In contrast, schemes that include further solid/liquid separation of the digestate improved the environmental profile, and their combination with an additional N-removal stage would lead to the most environmental-friendly framework. However, the preferred scenario was identified to be highly dependent on the particular conditions of each site, integrating environmental, social and economic criteria.

09 BIOMASS FUELS↗
DOE OSTI2019

Nonlinear saturation and oscillations of collisionless zonal flows

Abstract In homogeneous drift-wave turbulence, zonal flows (ZFs) can be generated via a modulational instability (MI) that either saturates monotonically or leads to oscillations of the ZF energy at the nonlinear stage. This dynamics is often attributed as the predator–prey oscillations induced by ZF collisional damping; however, similar dynamics is also observed in collisionless ZFs, in which case a different mechanism must be involved. Here, we propose a semi-analytic theory that explains the transition between the oscillations and saturation of collisionless ZFs within the quasilinear Hasegawa–Mima model. By analyzing phase-space trajectories of DW quanta (driftons) within the geometrical-optics (GO) approximation, we argue that the parameter that controls this transition is N ∼ γ MI / ω DW , where γ MI is the MI growth rate and ω DW is the linear DW frequency. We argue that at N ≪ 1, ZFs oscillate due to the presence of so-called passing drifton trajectories, and we derive an approximate formula for the ZF amplitude as a function of time in this regime. We also show that at N ≳ 1, the passing trajectories vanish and ZFs saturate monotonically, which can be attributed to phase mixing of higher-order sidebands. A modification of N that accounts for effects beyond the GO limit is also proposed. These analytic results are tested against both quasilinear and fully-nonlinear simulations. They also explain the earlier numerical results by Connaughton et al (2010 J. Fluid Mech. 654 207) and Gallagher et al (2012 Phys. Plasmas 19 122115) and offer a different perspective on what the control parameter actually is that determines the transition from the oscillations to saturation of collisionless ZFs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Investigating color screening in proton-nucleus collisions with complex potentials*

Abstract Color screening and parton inelastic scattering modify the heavy-quark antiquark potential in mediums consisting of particles from quantum chromodynamics (QCD), leading to the suppression of quarkonium production in relativistic heavy-ion collisions. Owing to the small charm/anti-charm ( ) pair production number in proton-nucleus ( pA ) collisions, the correlation between different pairs is negligible, which makes the Schrödinger equation viable for tracking the evolution of only one pair. We employ the time-dependent Schrödinger equation with an in-medium potential to study the evolution of charmonium wave functions in a hydrodynamic-like QCD medium produced in pA collisions. We explore different parametrizations of real and imaginary parts of the potential and calculate the nuclear modification factors ( ) of and in TeV energy p -Pb collisions at the Large Hadron Collider (LHC). Comparing strong and weak screening scenarios with experimental data in this approach, we arrive at the conclusion that color screening is weak at temperatures close to the deconfined phase transition. Moreover, the imaginary part of the potential is crucial in describing the experimental data, which is consistent with widely studied semi-classical approaches, where dissociation rates are essential.

Physics↗
DOE OSTI2024

Relativistic Alfvén Turbulence at Kinetic Scales

Abstract In a strongly magnetized, magnetically dominated relativistic plasma, Alfvénic turbulence can extend to scales much smaller than the particle inertial scales. It leads to an energy cascade somewhat analogous to inertial- or kinetic-Alfvén turbulent cascades existing in nonrelativistic space and astrophysical plasmas. Based on phenomenological modeling and particle-in-cell numerical simulations, we propose that the energy spectrum of such relativistic kinetic-scale Alfvénic turbulence is close to k −3 or slightly steeper than that due to intermittency corrections or Landau damping. We note the analogy of this spectrum with the Kraichnan spectrum corresponding to the enstrophy cascade in 2D incompressible fluid turbulence. Such turbulence strongly energizes particles in the direction parallel to the background magnetic field, leading to nearly one-dimensional particle momentum distributions. We find that these distributions have universal log-normal statistics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Highly Sensitive Low‐Bandgap Perovskite Photodetectors with Response from Ultraviolet to the Near‐Infrared Region

Abstract It is a great challenge to obtain broadband response perovskite photodetectors (PPDs) due to the relatively large bandgaps of the most used methylammonium lead halide perovskites. The response range of the reported PPDs is limited in the ultraviolet–visible range. Here, highly sensitive PPDs are successfully fabricated with low bandgap (≈1.25 eV) (FASnI 3 ) 0.6 (MAPbI 3 ) 0.4 perovskite as active layers, exhibiting a broadband response from 300 to 1000 nm. The performance of the PPDs can be optimized by adjusting the thicknesses of the perovskite and C 60 layers. The optimized PPDs with 1000 nm thick perovskite layer and 70 nm thick C 60 layer exhibit an almost flat external quantum efficiency (EQE) spectrum from 350 to 900 nm with EQE larger than 65% under −0.2 V bias. Meanwhile, the optimized PPDs also exhibit suppressed dark current of 3.9 nA, high responsivity ( R ) of over 0.4 A W −1 , high specific detectivity ( D* ) of over 10 12 Jones in the near‐infrared region under −0.2 V. Such highly sensitive broadband response PPDs, which can work well as self‐powered conditions, offer great potential applications in multicolor light detection.

Wang, Wenbin↗
DOE OSTI2023

Discovery of Nanoscale Electric Field‐Induced Phase Transitions in ZrO 2

Abstract The emergence of ferroelectric and antiferroelectric properties in the semiconductor industry's most prominent high‐k dielectrics, HfO 2 and ZrO 2 , is leading to technology developments unanticipated a decade ago. Yet the failure to clearly distinguish ferroelectric from antiferroelectric behavior is impeding progress. Band‐excitation piezoresponse force microscopy and molecular dynamics are used to elucidate the nanoscale electric field‐induced phase transitions present in ZrO 2 ‐based antiferroelectrics. Antiferroelectric ZrO 2 is clearly distinguished from a closely resembling pinched La‐doped HfO 2 ferroelectric. Crystalline grains in the range of 3 – 20 nm are imaged independently undergoing reversible electric field induced phase transitions. The electrically accessible nanoscale phase transitions discovered in this study open up an unprecedented paradigm for the development of new nanoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

On the Durability of Tin‐Containing Perovskite Solar Cells

Abstract Tin (Sn)‐containing perovskite solar cells (PSCs) have gained significant attention in the field of perovskite optoelectronics due to lower toxicity than their lead‐based counterparts and their potential for tandem applications. However, the lack of stability is a major concern that hampers their development. To achieve the long‐term stability of Sn‐containing PSCs, it is crucial to have a clear and comprehensive understanding of the degradation mechanisms of Sn‐containing perovskites and develop mitigation strategies. This review provides a compendious overview of degradation pathways observed in Sn‐containing perovskites, attributing to intrinsic factors related to the materials themselves and environmental factors such as light, heat, moisture, oxygen, and their combined effects. The impact of interface and electrode materials on the stability of Sn‐containing PSCs is also discussed. Additionally, various strategies to mitigate the instability issue of Sn‐containing PSCs are summarized. Lastly, the challenges and prospects for achieving durable Sn‐containing PSCs are presented.

14 SOLAR ENERGY↗
DOE OSTI2021

Subacute safety assessment of recombinant Lactococcus lactis on the gut microbiota of male Sprague–Dawley rats

Abstract BACKGROUND Lactococcus lactis strain pGSMT/MG1363 is a genetically modified microorganism (GMM) that constitutively expresses human metallothionein‐I fusion protein to combine with intracellular lead. Unlike traditional probiotics, pGSMT/MG1363 lacks a history of safe use in food. Administration of microorganism could influence the gut microbial community and consequently confer health benefits or cause disadvantages to the host. To date, little has been done to assess the influence of recombinant strain pGSMT/MG1363 on the stability of gut microbiota. RESULTS Liver, testis and kidney sections of male Sprague–Dawley rats orally administered pGSMT/MG1363 for 6 weeks showed normal structure and no pathological damage. There were no adverse effects on the analyzed serum biochemical parameters between the pGSMT/MG1363 group and the MG1363 group. Principal coordinate analysis showed that, compared with the MG1363 group, the 6‐week‐old fecal gut microbiota of rats fed with pGSMT/MG1363 was not significantly different (Adonis, P = 0.802). pGSMT/MG1363 treatment for 6 weeks did not significantly change the relative abundance of gut microbiota at the phylum and genus levels in comparison with MG1363 treatment. CONCLUSION Compared to the non‐GM strain MG1363 group, administration of the recombinant strain pGSMT/MG1363 for 6 weeks showed no adverse effects on the analyzed physiological parameters and gut microbial compositions of male Sprague–Dawley rats. The results suggested that, in terms of gut microbiota stability, pGSMT/MG1363 could be considered as safe as MG1363, at least for short‐term intake. Further toxicological evaluations still need to be considered before drawing a definite conclusion concerning the safe use of pGSMT/MG1363. © 2021 Society of Chemical Industry.

Chen, Guowei↗
DOE OSTI2018

Effect of soluble inhibitors on the corrosion behaviour of galvanized steel in fresh concrete

Highlights: • Metastable passivation of galvanized steel occurs immediately in concrete with Cr VI ≥ 15 ppm. • Stable passivation of galvanized steel in concrete with Cr VI ≥ 6 ppm occurs in three steps. • Nitrite decreases hydrogen evolution by moving corrosion potential to more positive values. • Nitrite favours the formation of a compact layer of CHZ, which leads to a stable passivation. • DEA and MoO{sub 4}{sup 2-} do not have significant effect on the passivation time of galvanized steel. - Abstract: The effect of some soluble inhibitors on the passivation time of galvanized steel reinforcements in fresh concrete was studied in order to reduce H{sub 2} evolution associated with the active corrosion. The investigation was performed by means of corrosion potential monitoring, scanning electron microscopy, energy-dispersive X-ray spectroscopy and X-ray diffraction analysis. The obtained results indicate that the passivation of galvanized steel in concrete containing chromates occurs in three steps with different mechanisms and that dissolved oxygen is necessary for the beginning of passivation process. Among the inhibitors studied as alternative to Cr VI, nitrite seem the most promising one, even if it is less effective than chromate. Diethanolamine and molybdate ions do not have significant effect on the passivation time of galvanized steel in fresh concrete.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Comparative XRPD and XAS study of the impact of the synthesis process on the electronic and structural environments of uranium–americium mixed oxides

Uranium–americium mixed oxides are potential compounds to reduce americium inventory in nuclear waste via a partitioning and transmutation strategy. A thorough assessment of the oxygen-to-metal ratio is paramount in such materials as it determines the important underlying electronic structure and phase relations, affecting both thermal conductivity of the material and its interaction with the cladding and coolant. In 2011, various XAS experiments on U{sub 1−x}Am{sub x}O{sub 2±δ} samples prepared by different synthesis methods have reported contradictory results on the charge distribution of U and Am. This work alleviates this discrepancy. The XAS results confirm that, independently of the synthesis process, the reductive sintering of U{sub 1−x}Am{sub x}O{sub 2±δ} leads to the formation of similar fluorite solid solution indicating the presence of Am{sup +III} and U{sup +V} in equimolar proportions. - Graphical abstract: Formation of (U{sup IV/V},Am{sup III})O{sup 2} solid solution by sol–gel and by powder metallurgy. - Highlights: • Uranium–americium mixed oxides were synthesized by sol–gel and powder metallurgy. • Fluorite solid solutions with similar local environment have been obtained. • U{sup V} and Am{sup III} are formed in equimolar proportions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The enhancing performance of (Ba{sub 0.85}Ca{sub 0.15}Ti{sub 0.90}Zr{sub 0.10})O{sub 3} ceramics by tuning anatase–rutile phase structure

Graphical abstract: Titanium dioxide (TiO{sub 2}) with different phase structure had interesting influence on the crystal structure, microstructure, the sintering temperature and electrical properties. - Highlights: • BCZT ceramics were prepared using either anatase or rutile structures as Ti source. • Orthorhombic and tetragonal mixture structure was exhibited by adjusting Ti source. • The optimal properties were observed in BCZT ceramics with rutile titanium dioxide. - Abstract: To research effect of raw materials TiO{sub 2} with the phase structures on the crystal structure, microstructure and electrical properties of lead-free (Ba{sub 0.85}Ca{sub 0.15})(Ti{sub 0.90}Zr{sub 0.10})O{sub 3} (BCZT) ceramics, BCZT ceramics using either anatase or rutile as Ti source were synthesized by solid-state reaction. Titanium dioxide (TiO{sub 2}) with anatase/rutile phase structures had interesting influence on the crystal structure, microstructure and the sintering temperature by the X-ray diffraction and SEM, which also played an important role in improved electrical properties. The BCZT ceramics with rutile titanium dioxide demonstrated optimal piezoelectric and dielectric properties: d{sub 33} = 590 pC/N, k{sub p} = 0.46, ε{sub r} = 2810, tanδ = 0.014 and T{sub c} = 91 °C, which was obviously superior to BCZT ceramics with anatase titanium dioxide.

36 MATERIALS SCIENCE↗