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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Effects of Solvent Composition on Liquid Range, Glass Transition, and Conductivity of Electrolytes of a (Li, Cs)PF 6 Salt in EC-PC-EMC Solvents

Electrolytes of 1 M LiPF 6 (lithium hexafluorophosphate) and 0.05 M CsPF 6 (cesium hexafluorophosphate) in EC-PC-EMC (ethylene carbonate-propylene carbonate-ethyl methyl carbonate) solvents of varying solvent compositions were studied for the effects of solvent composition on the lower limit of liquid range, viscosity (as reflected by the glass transition temperature), and electrolytic conductivity. In addition, a ternary phase diagram of EC-PC-EMC was constructed and crystallization temperatures of EC and EMC were calculated to assist the interpretation and understanding of the change of liquid range with solvent composition. A function based on Vogel-Fulcher-Tammann equation was fitted to the conductivity data in their entirety and plotted as conductivity surfaces in solvent composition space for more direct and clear comparisons and discussions. Changes of viscosity and dielectric constant of the solvents with their composition, in relation to those of the solvent components, were found to be underlying many of the processes studied.

Ding, Michael S. (ORCID:0000000293021032)↗
DOE OSTI2015

SESAME 7363: A new Li(6)D equation of state

A new Equation of State (EOS) for Lithium 6 Deuteride ( 6 LiD) was created, sesame 7363. This EOS was released to the user community under “eos-developmental” as sesame 97363. The construction of this new EOS is a modification of a previously released EOS, sesame 7360 1 . Sesame 7360 is too stiff (5-10% excess pressure) at high compressions and high temperatures (ρ = 4-110g/cm 3 , T = 30-10,000 eV) compared to orbital-free density-functional theory. Sesame 7363 is softer and gives a better representation of the physics over this range without compromising the agreement with the experimental and simulation data that sesame 7360 was based on.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Comparison of the effects of couplings to breakup channels in reactions induced by {sup 6}Li and {sup 6}He on the same {sup 64}Zn target

The experimental elastic scattering angular distributions for the weakly bound nuclei {sup 6,7}Li and for the halo nucleus {sup 6}He on the same {sup 64}Zn target at several energies around the Coulomb barrier were measured at the Laboratori Nazionali del Sud (LNS, Italy) and at the Cyclotron Research Center, Louvain La Neuve (Belgium), respectively. The measured elastic scattering angular distributions of these three systems at the same center of mass energy have been compared. The experimental data of the {sup 6,7}Li+ {sup 64}Zn systems have been analyzed within the CDCC method, while the {sup 6}He+{sup 64}Zn data have been compared with both both CDCC and CRC calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Evidence of lithium mobility under neutron irradiation

Understanding the evolution of intermetallic materials in high-radiation environments is of great importance for fusion science and national security. Tritium ( 3 H) and lithium ( 6 Li, 7 Li) transport within neutron irradiated claddings coated with aluminide (FeAl3) has been investigated using state-of-the-art multimodal imaging. Specifically, scanning electron microscopy – focused ion beam (SEM-FIB) was used to prepare irradiated coating lift-out samples for follow-on microanalysis. Here, scanning transmission electron microscopy (STEM) was used to acquire atomic-scale information on the carbonaceous structure and elemental mapping. Atomic force microscopy (AFM) was used to determine lift-out dimensions nondestructively. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) spectral and depth profiling show unexpected lithium isotopic distributions in the irradiated cladding, raising an important evidence of possible light isotope mobility within the cladding under elevated temperature and irradiation. ToF-SIMS three-dimensional chemical mappings of mid- and bottom-cladding coatings show light isotopic (e.g., 3 H, 6 Li, 7 Li) distributions in the irradiated coating and give new insights into the fundamental mechanism related to transport mechanisms within the cladding. Multimodal imaging is power to link microstructure, chemistry, and nanoscale defects that impact reliability of these materials. Furthermore, chemical mapping offers observations of the microstructural evolution due to irradiation and provides insights into unexpected material transport under extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Enriched Boron-Doped Amorphous Selenium Based Position-Sensitive Solid-State Thermal Neutron Detector for MPACT Applications

High-efficiency thermal neutron detectors with compact size, low power-rating and high spatial, temporal and energy resolution are essential to execute non-proliferation and safeguard protocols. The demands of such detector are not fully covered by the current detection system such as gas proportional counters or scintillator-photomultiplier tube combinations, which are limited by their detection efficiency, stability of response, speed of operation, and physical size. Furthermore, world-wide shortage of 3 He gas, required for widely used gas detection method, has further prompted to design an alternative system. Therefore, a solid-state neutron detection system without the requirement of 3 He will be very desirable. To address the above technology gap, we had proposed to develop new room temperature solidstate thermal neutron detectors based on enriched boron ( 10 B) and enriched lithium ( 6 Li) doped amorphous Se (As- 0.52%, Cl 5 ppm) semiconductor for MPACT applications. The proposed alloy materials have been identified for its many favorable characteristics - a wide bandgap (~2.2 eV at 300 K) for room temperature operation, high glass transition temperature (t g ~ 85°C), a high thermal neutron cross-section (for boron ~ 3840 barns, for lithium ~ 940 barns, 1 barn = 10 -24 cm 2 ), low effective atomic number of Se for small gamma ray sensitivity, and high radiation tolerance due to its amorphous structure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Novel imaging technique for thermal neutrons using a fast optical camera

A novel imaging technique for thermal neutrons using a fast optical camera is presented. Thermal neutrons are reacted with 6 Lithium to produce a pair of 2.73 MeV tritium and 2.05 MeV alpha particles, which in turn interact in a thin layer of LYSO crystal scintillator to produce a localized flash of light. These photons are directed by a pair of lenses to a micro-channel plate intensifier, and its output is connected to the optical camera, TPX3CAM. The results from the camera are reconstructed through a custom algorithm. Various cutting parameters were found through data analysis to eliminate the background, and they were shown effective in matching the simulated rate of the neutron source. The system is fast with 40 ns decay time and allows free-space light collection, both vastly enhances flexibility of neutron detection.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Optimization of tritium breeding and shielding analysis to plasma in ITER fusion reactor

The development of fusion energy is one of the important International energy strategies with the important milestone is ITER (International Thermonuclear Experimental Reactor) project, initiated by many countries, such as: America, Europe, and Japan who agreed to set up TOKAMAK type fusion reactor in France. In ideal fusion reactor the fuel is purely deuterium, but it need higher temperature of reactor. In ITER project the fuels are deuterium and tritium which need lower temperature of the reactor. In this study tritium for fusion reactor can be produced by using reaction of lithium with neutron in the blanket region. With the tritium breeding blanket which react between Li-6 in the blanket with neutron resulted from the plasma region. In this research the material used in each layer surrounding the plasma in the reactor is optimized. Moreover, achieving self-sufficiency condition in the reactor in order tritium has enough availability to be consumed for a long time. In order to optimize Tritium Breeding Ratio (TBR) value in the fusion reactor, there are several strategies considered here. The first requirement is making variation in Li-6 enrichment to be 60%, 70%, and 90%. But, the result of that condition can not reach TBR value better than with no enrichment. Because there is reduction of Li-7 percent when increasing Li-6 percent. The other way is converting neutron multiplier material with Pb. From this, we get TBR value better with the Be as neutron multiplier. Beside of TBR value, fusion reactor can analyze the distribution of neutron flux and dose rate of neutron to know the change of neutron concentration for each layer in reactor. From the simulation in this study, 97% neutron concentration can be absorbed by material in reactor, so it is good enough. In addition, it is required to analyze spectrum neutron energy in many layers in the fusion reactor such as in blanket, coolant, and divertor. Actually material in that layer can resist in high temperature and high pressure condition for more than ten years.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Analysis of hydrogen and lithium isotopes using Laser-Induced Breakdown Spectroscopy

The detection and quantification of hydrogen (1,2,3H) and lithium (6,7Li) isotopes are critical to several energy and defense application areas, including hydrogen storage, nuclear forensics, and safeguards/non-proliferation. In this context, laser-induced breakdown spectroscopy (LIBS) is very promising and it comes with certain advantages such as rapid detection, and standoff capability. Although LIBS provides experimental simplicity and is capable of detecting all elements in the periodic table in any phase (solid, liquid, or gas), there exist certain challenges for isotopic analyses of H and Li due to spectral broadening, the presence of closely spaced fine and hyperfine structures, and line distortion effects (e.g., self-absorption and self-reversal) present in laser-produced plasmas. This article reports recent developments in H and Li isotopic analysis using LIBS, and existing challenges.

(020.3260) Isotope shifts, (140.3440) Laser-induce↗
DOE OSTI2018

Possibility of Studying Neutron–Neutron Correlations in Halo Nuclei

An experimental investigation of the reaction of core pickup from {sup 6}He and {sup 11}Li two-neutronhalo nuclei is proposed. In such experiments, neutron–neutron correlations in a halo nucleus will be assessed on the basis of the energy of a neutron–neutron quasibound state. A detailed kinematical simulation of the reaction {sup 6}He + {sup 2}H → {sup 6}Li + (nn) →{sup 6} Li + n + n is performed. It is shown that the energy of the quasibound state in question can determined from the shape of the energy spectrum of neutrons originating from the breakup of this state. In the proposed exclusive experiment, a beam of {sup 6}He ({sup 11}Li) nuclei with an energy of about 5 to 10 MeV per nucleon interacts with a deuterated-polyethylene target. This will permit detecting charged particles ({sup 6}Li and {sup 11}Be) and a neutron. On the basis of determining the energy of the neutron–neutron quasibound state, it will become possible to estimate the effective attraction between the valence neutrons in the field of the third particle (core).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

The study of the thermal neutron flux in the deep underground laboratory DULB-4900

We report on the study of thermal neutron flux using monitors based on mixture of ZnS(Ag) and LiF enriched with a lithium-6 isotope at the deep underground laboratory DULB-4900 at the Baksan Neutrino Observatory. An annual modulation of thermal neutron flux in DULB-4900 is observed. Experimental evidences were obtained of correlation between the long-term thermal neutron flux variations and the absolute humidity of the air in laboratory. The amplitude of the modulation exceed 5% of total neutron flux.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Fusion Neutron Generator

The proposed code, named FROG (Fusion neutron Generator) is built upon the open-source particle transport Monte Carlo toolkit Geant4. Geant4 provides C++ classes that can be leveraged to build application-specific codes dealing with the transport of particles through matter. Geant4-based codes are applied in high-energy particle physics experiments, medical applications, shielding, and space applications for example. The FROG code allows the user to define the geometry of a neutron converter device shaped as a hollow cylinder, where a neutron breeding material such as lithium deuteride (LiD) is cladded by two concentric cylinders. Such neutron converter is then placed inside a regular nuclear fission reactor, where thermal neutrons will react with the neutron breeder material (typically, Lithium 6), and through a series of reactions, will generate high-energy neutrons – neutrons whose kinetic energy are around 14 MeV. The hollowed central portion can hold a specimen that will be bombarded by high-energy neutrons created inside the neutron breeding material. Figuratively speaking, this type of device transforms neutrons from thermal (~0.625 eV) to fusion (~14 MeV) energies and is sometimes termed “fusion-to-thermal neutron converters” in the literature. The code consists of C++ source file compiled and linked to generate an executable. The user can select the dimensions of the converter (radius, length, and thickness of the breeder material), the breeder material type, the cladding material, and the specimen material that will be activated or irradiated. As input, the neutron flux for a specific location inside a reactor, for instance, positions in ATR, is required. As output, the code predicts the number of high-energy neutrons produced, the total neutron flux and fluence as well as its detailed spectrum. The physics involved in such device is very complex, as it requires modeling neutron transport, light-ion (tritons) transport, as well as fusion reactions. The Geant4 toolkit provides the required physical models.

Martin, NicholasP. [Idaho National Laboratory (INL↗
DOE OSTI2024

Lithium-ion hopping weakens thermal stability of LiPF 6 carbonate electrolytes

Lithium hexafluorophosphate (LiPF 6 )-based carbonate electrolytes are widely used in commercial lithium-ion batteries (LIBs), but their thermal instability limits the cycle life and safety of LIBs at elevated temperatures. Few studies have yielded insight into the initial PF 6 — decomposition reaction that promotes thermal instability of LiPF6-based electrolytes. Here, we find that lithium-ion hopping assisted by the overall reorientational motion of propylene carbonate molecules facilitates PF 6 — decomposition at elevated temperatures in 1 M LiPF 6 /propylene carbonate electrolyte. Further, we demonstrate that urea additives, by preventing lithium-ion hopping, suppress the initial LiPF 6 decomposition reaction and enhance the thermal stability of the electrolyte. LIB cell tests with LiNi 0.6 Mn 0.2 Co 0.2 O 2 ||Li 4 Ti 5 O 12 show improved LIB performance at elevated temperatures with the thermally stabilized electrolyte. This study provides key insights into the design of thermally stable LiPF 6 -based carbonate electrolytes for improving the cycle life, calendar life, and safety of LIBs in elevated-temperature applications.

25 ENERGY STORAGE↗
DOE OSTI2018

Reduction Reactions of Electrolyte Salts for Lithium Ion Batteries: LiPF 6 , LiBF 4 , LiDFOB, LiBOB, and LiTFSI

The reduction products of common lithium salts for lithium ion battery electrolytes, LiPF 6 , LiBF 4 , lithium bisoxalato borate (LiBOB), lithium difluorooxalato borate (LiDFOB), and lithium trifluorosulfonylimide (LiTFSI), have been investigated. The solution phase reduction of different lithium salts via reaction with the one electron reducing agent, lithium naphthalenide, results in near quantitative reactions. Analysis of the solution phase and head space gasses suggests that all of the reduction products are precipitated as insoluble solids. The solids obtained through reduction were analyzed with solution NMR, IR-ATR and XPS. All fluorine containing salts generate LiF upon reduction while all oxalate containing salts generate lithium oxalate. In addition, depending upon the salt other species including, Li x PF y O z , Li x BF y , oligomeric borates, and lithium bis[N-(trifluoromethylsulfonylimino)] trifluoromethanesulfonate are observed.

25 ENERGY STORAGE↗
DOE OSTI2017

Improved performance through tight coupling of redox cycles of sulfur and 2,6-polyanthraquinone in lithium–sulfur batteries

Lithium–sulfur (Li–S) batteries offer high theoretical capacity and energy density; however, complex nanoengineered cathodes have been required to suppress the unwanted polysulfide shuttling. The textural complexity of such electrodes hinders detailed understanding of their function, impeding the development of new materials. In this report, the redox-active polymer 2,6-polyanthraquinone (PAQ) was incorporated into the cathode. The presence of this polymer improves capacity retention in galvanostatic cycling and inhibits Li corrosion and S deposition. In conclusion, we show that redox reactions of this polymer are strongly coupled to the S redox cycle and hypothesize that the observed improvements in the performance originate from the electrocatalytic inhibition of polysulfide shuttling in this system.

25 ENERGY STORAGE↗
DOE OSTI2021

Li 2 S 6 ‐Integrated PEO‐Based Polymer Electrolytes for All‐Solid‐State Lithium‐Metal Batteries

Abstract The integration of Li 2 S 6 within a poly(ethylene oxide) (PEO)‐based polymer electrolyte is demonstrated to improve the polymer electrolyte's ionic conductivity because the strong interplay between O 2− (PEO) and Li + from Li 2 S 6 reduces the crystalline volume within the PEO. The Li/electrolyte interface is stabilized by the in situ formation of an ultra‐thin Li 2 S/Li 2 S 2 layer via the reaction between Li 2 S 6 and lithium metal, which increases the ionic transport at the interface and suppresses lithium dendrite growth. A symmetric Li/Li cell with the Li 2 S 6 ‐integrated composite electrolyte has excellent cyclability and a high critical current density of 0.9 mA cm −2 at 40 °C. Impressive electrochemical performance is demonstrated with all‐solid‐state Li/LiFePO 4 and high‐voltage Li/LiNi 0.8 Mn 0.1 Co 0.1 O 2 cells at 40 °C.

Fang, Ruyi↗
DOE OSTI2017

Microscopic multichannel investigation of the {sup 6}Li + n seven-nucleon nuclear system at low energies

The {sup 6}Li + n seven-nucleon nuclear system is studied at low energies within a microscopic approach based on the multichannel algebraic version of the resonating group model. The partial and total cross sections for the {sup 6}Li(n, t){sup 4}He reaction are calculated. The contributions of the various partial cross sections to the energy dependence of the total cross section are considered. The results of the calculations are found to be in a good agreement with experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗