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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Maximizing Strength: The Stimuli and Mediators of Strength Gains and Their Application to Training and Rehabilitation

Abstract Spiering, BA, Clark, BC, Schoenfeld, BJ, Foulis, SA, and Pasiakos, SM. Maximizing strength: the stimuli and mediators of strength gains and their application to training and rehabilitation. J Strength Cond Res 37(4): 919–929, 2023—Traditional heavy resistance exercise (RE) training increases maximal strength, a valuable adaptation in many situations. That stated, some populations seek new opportunities for pushing the upper limits of strength gains (e.g., athletes and military personnel). Alternatively, other populations strive to increase or maintain strength but cannot perform heavy RE (e.g., during at-home exercise, during deployment, or after injury or illness). Therefore, the purpose of this narrative review is to (a) identify the known stimuli that trigger gains in strength; (b) identify the known factors that mediate the long-term effectiveness of these stimuli; (c) discuss (and in some cases, speculate on) potential opportunities for maximizing strength gains beyond current limits; and (d) discuss practical applications for increasing or maintaining strength when traditional heavy RE cannot be performed. First, by conceptually deconstructing traditional heavy RE, we identify that strength gains are stimulated through a sequence of events, namely: giving maximal mental effort, leading to maximal neural activation of muscle to produce forceful contractions, involving lifting and lowering movements, training through a full range of motion, and (potentially) inducing muscular metabolic stress. Second, we identify factors that mediate the long-term effectiveness of these RE stimuli, namely: optimizing the dose of RE within a session, beginning each set of RE in a minimally fatigued state, optimizing recovery between training sessions, and (potentially) periodizing the training stimulus over time. Equipped with these insights, we identify potential opportunities for further maximizing strength gains. Finally, we identify opportunities for increasing or maintaining strength when traditional heavy RE cannot be performed.

Sport Sciences↗
DOE OSTI2024

Ultrafast and Highly Collimated Radially Polarized Photons at Room Temperature from a Colloidal Quantum Dot Coupled to a Hybrid Nanoantenna

To harness the potential of radially polarized photons for classical and quantum communication applications, we demonstrate an on-chip, room-temperature device, which generates highly directional radially polarized photons at very high rates. The photons are emitted from a giant CdSe/CdS colloidal quantum dot (gQD) accurately positioned at the tip of a metal nanocone centered inside a hybrid metal-dielectric bullseye antenna. We show that due to the large and selective Purcell enhancement specifically for the out-of-plane optical dipole of the gQD, the emitted photons can have a very high degree of radial polarization (>93%), based on a quantitative metric. Our study emphasizes the importance of accurate gQD positioning for optimal radial polarization purity through extensive experiments and simulations, which contribute to the fundamental understanding of radial polarization in nanostructured devices and pave the way for implementation of such systems in practical applications using structured quantum light.

36 MATERIALS SCIENCE↗
DOE OSTI2024

FIU Project 2: Environmental Remediation Science & Technology [Slides]

FIU’s research under this project involves conducting basic and applied science to fill knowledge gaps and validate potential remediation technologies for contaminated soil and groundwater and the assessment of the fate and transport of contaminants in the environment. The aim of FIU’s research is to reduce the potential for contaminant mobility or toxicity in the surface and subsurface through the development and application of state-of-the-art scientific and environmental remediation technologies at the Hanford Site, Savannah River Site (SRS), and the Waste Isolation Pilot Plant (WIPP), which is the Nation’s only mined geologic repository for permanent disposal of transuranic waste. FIU collaborates with scientists from Pacific Northwest National Laboratory (PNNL), Savannah River National Laboratory (SRNL), Savannah River Ecology Laboratory (SREL), Los Alamos National Laboratory (LANL) and the DOE Carlsbad Field Office (CBFO) in order to plan and execute research that is synergistic with the work being conducted at the sites, and that supports the resolution of critical science and engineering needs which leads to a better understanding of the long-term behavior of subsurface contaminants. The knowledge gained through this research will be used to transform experimental and modeling innovations into practical applications deployed at the sites to support EM’s primary goal of expediting the closure of major contaminated soil and groundwater sites and waste units. Collaborative relationships between FIU and the national laboratories have provided large benefits over the years to FIU, the national laboratories, the DOE complex, and the DOE EM mission. By working closely with the national laboratories, FIU’s research is not only closely aligned with the cleanup mission priorities at the DOE sites, but complements and supports ongoing work at the national laboratories for screening of new remedial technologies. This coordination and leveraging of research efforts results in time- and cost-savings, and will accelerate progress of the DOE EM environmental restoration mission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Triboelectric Nanogenerator Repeatability and Reproducibility Study

The development of triboelectric nanogenerators (TENGs) has largely focused on optimizing output performance, often at the expense of other critical research considerations such as the development of reliable technical procedures. In particular, the reliability of reported results—specifically repeatability and reproducibility—remains underexplored and is frequently limited to brief discussion within available literature. Without rigorous validation through repeatability and reproducibility studies, the credibility and broader applicability of reported findings remain uncertain. This study addresses this gap by systematically evaluating the repeatability and reproducibility of TENG performance data. Five polymer materials—Kapton, polyethylene (PE), polyethylene terephthalate (PET), polytetrafluoroethylene (PTFE), and polyvinylidene fluoride (PVDF)—were investigated across all pairwise combinations of 25 total combinations for the reproducibility study and three selected pairs of the 25 samples were selected for the repeatability study. For each TENG pairing, we analyzed the methodology, experimental procedures, and resulting performance data to quantify consistency and reliability. The objective of this work is to assess the validity of the collected dataset and determine whether the observed performance trends are consistent for use in future TENG design and optimization studies. Establishing reliable and reproducible data is essential for advancing the development of high-output TENG systems and ensuring their dependable implementation in practical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Label-free quantum super-resolution imaging using entangled multi-mode squeezed light

Abstract In this study, we explore the theoretical application of entangled multi-mode squeezed light for label-free optical super-resolution imaging. By generating massively entangled multi-mode squeezed light through an array of balanced beam splitters, using a single-mode squeezed light input, we create a multi-mode quantum light state with exceptional entanglement and noise suppression below the shot noise level. This significantly reduces imaging measurement errors compared to classical coherent state light imaging when the same number of photons are used on the imaging sample. We demonstrate how to optimize the imaging system’s parameters to achieve the Heisenberg imaging error limit, taking into account the number of entangled modes and photons used. We also examine the effects of optical losses in the imaging system, necessitating adjustments to the optimized parameters based on the degree of optical loss. In practical applications, this new quantum imaging approach reduces the number of photons needed to achieve the same image quality by two orders of magnitude compared to classical imaging methods that use non-entangled, non-squeezed coherent state light.

Soh, Daniel (ORCID:0000000325625675)↗
DOE OSTI2025

Molecular-level Regulation of PEO-Based Electrolytes with CaF 2 Nanoparticles for Advanced Solid-State Lithium Metal Batteries

The poly(ethylene oxide) (PEO)-based electrolyte has caught much attention for its flexibility, interfacial compatibility, and low cost, but the low ionic conductivity and poor mechanical strength severely hinder its further application in solid-state batteries. Herein, a molecular level regulation through adding CaF 2 nanoparticle fillers is proposed to enhance the electrochemical performance of the PEO-based electrolyte. The strong coordination effects of the Ca cation with a Li salt anion and ether-oxygen increase the dissociated Li ion concentration and accelerate Li ion migration, thus enhancing the ionic conductivity of the electrolyte when combined with their physical disruption in the PEO matrix (0.31 mS cm -1 at 55 °C). Moreover, the spontaneous reaction between Li and CaF 2 generates a LiF-rich solid electrolyte interphase, which promotes homogeneous Li deposition. Consequently, the PEO-CaF 2 electrolyte delivers symmetric cells over 6300 h and maintains full batteries over 1000 cycles with 80% capacity retention. In conclusion, the assembled pouch-cell displays robust performance, further demonstrating its potential practical application.

Li, Tao [Lanzhou Univ. (China)] (ORCID:00000003196↗
DOE OSTI2020

Viscosity-temperature relation based on the evolution of medium-range structures of silica

The viscosity of glass is the most important technological property to glass manufactures and various applications. Practically, finding an accurate equation to express the glass viscosity behavior in the entire glass transition temperature range is tremendously challenge because it spans more than ten orders of magnitude. After a brief review of existing empirical viscosity equations, this work focuses on the correlating silica viscosity behavior with the evolution of glass medium-range structure, based on the recently proposed nanoflake model. From this new model, a new equation is constructed, which correctly describes the Arrhenius-type behavior of silica viscosity η above the melting temperature Tm, and non-Arrhenius-type behavior from Tm to a critical temperature Tc. At temperature lower than Tc, the equation predicts Arrhenius-type behavior again for the viscous flow with increased activation energy. The new equation agrees with experimental data in the entire temperature spanned from extremely high to extremely low. Furthermore, the application of the new equation is shown to extend to sodium silicate glasses as well.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Probing ferroelectric domain structures and their switching dynamics in SrBi2Ta2O9 by in-situ electric biasing in transmission electron microscopy

Abstract Lead-free SrBi 2 Ta 2 O 9 (SBT) has been a promising ferroelectric material for various applications such as electronics and data storage due to its outstanding ferroelectric properties including high fatigue endurance and low leakage current. However, the atomic-scale domain structure and switching dynamics of ferroelectric SBT remain elusive. This study reveals that spontaneous polarization arises from canted bismuth-cation displacements, forming 90° and Ising-type 180° domain walls. Interestingly, topological pairs of ferroelectric vortex and antivortex connect ferroelectric boundaries where three domain walls converge. In situ electrical biasing transmission electron microscopy (TEM) reveals the dominance of 180° switching over 90°, where oxygen octahedral connectivity is protected by ferroelastic energy in the 90° domain wall. Consequently, all 180° domain walls and (anti)vortices are removed, leaving only 90° domain walls in the electrically poled states. Chemical deterioration along domain walls highlights vulnerability of SBT to ferroelectric fatigue. This study provides insight into crucial aspects for practical applications of SBT.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fluorescence Enhancement of Lignin-Based Carbon Quantum Dots by Concentration-Dependent and Electron-Donating Substituent Synergy and Their Cell Imaging Applications

Black liquor is an important pollutant in the pulp industry, but it also has the potential for high-value utilization. In this study, lignin extracted from black liquor was hydrothermally prepared into lignin-based carbon quantum dots (L-CQDs) using a one-pot method. Physicochemical characterization suggested that the L-CQDs exhibited a lamellar core–shell multilayered graphene structure surrounded by oxygen-containing functional groups. Here, the fluorescence intensity of the L-CQDs was strengthened depending on their own concentration dependence and the doping of external groups. The fluorescence intensity of L-CQDs varied between 89.09 and 183.66 under different concentrations, and the most intense fluorescence (183.66) was obtained at 0.1 mg mL –1 . At hydroxyl and amino adsorption capacities of 11.08 and 0.98 mmol g –1 , the hydroxylated RL-CQDs-5 and aminated NL-CQDs-3 exhibited the highest fluorescence intensities at 689.22 and 605.39, respectively. Moreover, when pristine L-CQDs were sequentially aminated and hydroxylated, the NRL-CQDs’ fluorescence intensity reached 1224.92. Cell imaging experiments proved that cells cultivated with NRL-CQDs have brighter fluorescence compared with L-CQDs. The results will render L-CQDs more suitable for practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Ultrasensitive Sub-monolayer Palladium Induced Chirality Switching and Topological Evolution of Skyrmions

Chiral spin textures are fundamentally interesting, with promise for device applications. Stabilizing chirality is conventionally achieved by introducing Dzyaloshinskii-Moriya interaction (DMI) in asymmetric multilayers, where the thickness of each layer is at least a few monolayers. Here we report an ultrasensitive chirality switching in (Ni/Co) n multilayer induced by capping with only 0.22 monolayer of Pd. Using spin-polarized low-energy electron microscopy, we monitor the gradual evolution of domain walls from left-handed to right-handed Néel walls and quantify the DMI induced by the Pd capping layer. We also observe the chiral evolution of a skyrmion during the DMI switching, where no significant topological protection is found as the skyrmion winding number varies. This corresponds to a minimum energy cost of <1 attojoule during the skyrmion chirality switching. Here, our results demonstrate the detailed chirality evolution within skyrmions during the DMI sign switching, which is relevant to practical applications of skyrmionic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Crystallization-induced emission enhancement of alkyl chain-dependent pyrene-based luminogens: Visual detection of nitro-explosives

In view of the widespread applications and urgent need for efficient blue emitting materials, the synthesis of such materials has seen renewed interest. In the present work, three alkyl chain-dependent blue emitting pyrene-based luminogens were synthesized and characterized. Here, the experimental results show that these luminogens exhibited high photoluminescence efficiency both in solution (>86%) and in the solid state (>35%). Interestingly, 1,3,6,8-tetrakis (pentylphenyl)pyrene (TPPy), as a photoelectric functional material, was endowed with higher quantum yield (72%) and competitiveness due to a remarkable crystallization-induced emission enhancement (CIEE) property. More importantly, TPPy exhibits high sensitivity and selectivity for ortho-nitroaniline (o-NA) with low limit of detection (9.99 × 10 -8 M), which is mainly due to the distinctive odd-even effects of the terminal alkyl chain. The results demonstrate that this type of luminogen can potentially be utilized for practical applications in the field of contaminant or explosive detection as a sensitive and portable fluorimeter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Interfacial engineering for stabilizing polymer electrolytes with 4V cathodes in lithium metal batteries at elevated temperature

Poly (ethylene oxide) (PEO) polymer electrolytes are promising candidates for next-generation rechargeable lithium batteries. However, the poor interfacial stability between 4 V cathodes and PEO electrolytes impedes their applications in 4 V lithium batteries with high energy density. Here, we demonstrate a facile and effective strategy to enhance the interfacial stability by the synergy of Li 1.5 Al 0.5 Ge 1.5 (PO 4 ) 3 (LAGP) coating on the cathode surface, and salt combination in the electrolyte, even with a cut-off voltage of 4.25–4.4 V vs. Li + /Li. Nano-LAGP coated Li|PEO|LiCoO 2 cell delivers stable cycling with a capacity retention of 81.9%/400 cycles and 84.7%/200 cycles at 60 °C when charged to 4.25 and 4.3 V in pure polyether electrolyte, respectively. Steady cycling is also demonstrated at room temperature and with LiNi 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) cathode. This work offers a viable and scalable approach to improve the stability between PEO electrolytes and 4 V cathodes and open up new possibilities for practical application of 4 V lithium metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Estimation of the Water Table Position in Unconfined Aquifers with MODFLOW 6

Abstract The numerical estimation of the position of the water table in unconfined aquifers is important for many practical applications. Its determination through observations or analytical methods is restricted to a few cases. Therefore, it is often estimated through numerical simulations, which may be affected by numerical artifacts and/or poor stability. We use MODFLOW to estimate the position of the water table for a seemingly simple example problem and demonstrate difficulties that can be faced when performing this kind of numerical simulation. We explain the causes for the numerical challenges that originate from the properties of the mathematical equations that must be solved. Based on the results of more than 600 steady‐state simulations, we show how the stability of the numerical solution can be affected by the values of physical parameters that define the problem (e.g., recharge rate, anisotropy ratio, and other parameters that control the numerical algorithm such as settings of the linear and nonlinear solution methods). Finally, we comment on some best practices to apply numerical simulations to estimate the water table position.

Geology↗
DOE OSTI2020

Atomically dispersed palladium catalyses Suzuki–Miyaura reactions under phosphine-free conditions

Single-atom catalysts have emerged as a new frontier in catalysis science. However, their applications are still limited to small molecule activations in the gas phase, the classic organic transformations catalyzed by single-atom catalysts are still rare. Here, we report the use of a single-atom Pd catalyst for the classic Suzuki–Miyaura carbon–carbon coupling reaction under phosphine-free and open-air conditions at room temperature. The single-atom Pd catalyst is prepared through anchoring Pd on bimetal oxides (Pd-ZnO-ZrO 2 ). The significant synergetic effect of ZnO and ZrO 2 is observed. The catalyst exhibits high activity and tolerance of a wide scope of substrates. Characterization demonstrates that Pd single atoms are coordinated with two oxygen atoms in Pd-ZnO-ZrO 2 catalyst. The catalyst can be fabricated on a multi-gram scale using a simple in situ co-precipitation method, which endows this catalytic system with great potential in practical applications.

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

TeraChem protocol buffers ( TCPB ): Accelerating QM and QM/MM simulations with a client–server model

The routine use of electronic structures in many chemical simulation applications calls for efficient and easy ways to access electronic structure programs. Here, we describe how the graphics processing unit (GPU) accelerated electronic structure program TeraChem can be set up as an electronic structure server, to be easily accessed by third-party client programs. We exploit Google’s protocol buffer framework for data serialization and communication. The client interface, called TeraChem protocol buffers (TCPB), has been designed for ease of use and compatibility with multiple programming languages, such as C++, Fortran, and Python. To demonstrate the ease of coupling third-party programs with electronic structures using TCPB, we have incorporated the TCPB client into Amber for quantum mechanics/molecular mechanics (QM/MM) simulations. The TCPB interface saves time with GPU initialization and I/O operations, achieving a speedup of more than 2× compared to a prior file-based implementation for a QM region with ~250 basis functions. We demonstrate the practical application of TCPB by computing the free energy profile of p-hydroxybenzylidene-2,3-dimethylimidazolinone (p-HBDI - )—a model chromophore in green fluorescent proteins—on the first excited singlet state using Hamiltonian replica exchange for enhanced sampling. All calculations in this work have been performed with the non-commercial freely-available version of TeraChem, which is sufficient for many QM region sizes in common use.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A layered 2D computational framework: Theory and applications to nuclear fuel behavior

Nuclear fuel performance computer codes have been developed over the last 50 years to analyze fuel behavior under various operating conditions. Traditionally, these codes used quasi-two-dimensional (also commonly known as 1.5D) representations of the fuel rod, which model the rod using a set of one-dimensional axisymmetric models that represent the behavior at specific axial positions on the rod. Modern fuel performance codes have the ability to investigate full three-dimensional (3D) effects and couple to other physics-based codes for true multiphysics simulations. However, with increasing complexity comes increasing computational costs. Many phenomena of interest involve azimuthally-varying behavior that cannot be represented using the aforementioned quasi-two-dimensional approach, but do not require the use of a full 3D model. To efficiently address these problems, there is a need for a computational framework that provides a compromise between the quasi-two-dimensional and full 3D models. In this paper, we present a new quasi-three-dimensional approach that represents the fuel as a set of 2D planar models that represent the behavior of the fuel cross-section at various axial positions. Presented here are the theory behind the methodology, test cases to illustrate proper implementation, and practical applications of its use in the BISON fuel performance code for a variety of cases in nuclear fuel analysis, such as fuel fracture, axial fuel relocation, and cladding distension and oxidation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Constructing uniform oxygen defect engineering on primary particle level for high-stability lithium-rich cathode materials

Lithium-rich layered cathode materials are considered to be research focus of cathode candidates for next generation lithium-ion batteries due to their high specific capacity and low cost. However, lattice deoxidation associated with elemental migration and internal local shrinkage usually results in deteriorated cyclic performance and notorious voltage attenuation, severely limiting its application. In this paper, we have successfully injected uniform oxygen defects into surface region of Li 1.2 Ni 0.13 Co 0.13 Mn 0.54 O 2 primary particles under the high-pressure and weak carbonate environment. Various experimental investigations indicate that the injected robust oxygen defects can not only mitigate detrimental interfacial reactions but also suppress unfavorable lattice variation and particle breakage. More importantly, theoretical calculations unravel the critical roles of oxygen defects in regulating energy band structure for strengthened anionic reversibility. Owing to stabilization effects of unique oxygen defect engineering, the modified Li 1.2 Ni 0.13 Co 0.13 Mn 0.54 O 2 cathode has harvested dramatically enhanced electrochemical performance including a high initial coulombic efficiency of 96.6%, an outstanding capacity retention of 91.96% (1C, 200 cycles) and suppressed voltage decay of only 1.62 mV per cycle. Therefore, this facile and effective defect engineering strategy could establish new guidance for promoting practical application of Li-rich Mn-based cathode material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Electronic, magnetic, and structural properties of CrMnSb 0.5 Si 0.5

Half-metallic Heusler compounds are among the most actively studied materials for applications in spin-based devices. Largely, this is due to their higher Curie temperature compared with the other half-metallic compounds, and relative ease of fabrication. Here we theoretically study one such Heusler alloy CrMnSb 0.5 Si 0.5 . In particular, we demonstrate a potential stability of this compound by estimating its formation energy, its half-metallic electronic structure (stable under a considered range of biaxial strain), and ferrimagnetic alignment. The calculated Curie temperature of this material is 787 K, much higher than room temperature. At the same time, we have shown that in thin-film geometry the spin-polarization of this material is strongly reduced due to the emergence of surface states in the minority-spin energy gap. In addition, one of the considered termination surfaces is thermodynamically unstable, while the other is stable. Here, the presented results may be useful for researchers working on practical applications in the field of spintronics.

36 MATERIALS SCIENCE↗