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At least 19 records

Future Battery Material Demand Analysis Based on U.S. Department of Energy R&D Targets

The U.S. Department of Energy’s Vehicle Technologies Office (VTO) supports research, development, and deployment of efficient, sustainable transportation technologies that will improve energy efficiency and fuel economy, and enable America to use less petroleum. To accelerate the development and adoption of new technologies, VTO has developed specific targets for a wide range of powertrain components, including the energy storage system. In this study, we use Autonomie, Argonne National Laboratory’s (Argonne’s) vehicle system simulation tool to evaluate future energy storage requirements (power, energy, etc.) for different vehicle classes, powertrains, component technologies and timeframes. BatPac, Argonne’s tool dedicated to energy storage pack design and costs, is then used to quantify the materials required for each pack. Market penetrations are then used to estimate the overall material demand worldwide and in the United States, with or without recycling. The results demonstrate that the positive impact of VTO research and development will lead to significant reduction in material compared to business-as-usual due to new anode and cathode designs, along with acceleration in battery cell chemistry penetrations. In terms of material demands, it is observed that lithium demand reaches about 80,000 tons (by a factor of 42–45), nickel demand reaches about 500,000 tons (by a factor of 47–56), manganese demand reaches about 30,000–50,000 tons (by a factor of 20–34), and cobalt demand reaches about 30,000 tons (by a factor of 13–28) in the future by 2050. The individual material demand per unit energy, however, decreases significantly in the future due to advances in VTO research and development activities. The increase in battery material demands is mostly driven by increased electrified vehicle fleet penetration in the markets.

25 ENERGY STORAGE↗

Nuclear Data Sheets for A = 56

The 1999 publication of Nuclear Data Sheets for A=56 (1999Hu04) has been updated using experimental nuclear structure data and decay data available before November 2009. The information for {sup 56}K, {sup 56}Ca, {sup 56}Sc, {sup 56}Ti, {sup 56}V, {sup 56}Cr, {sup 56}Mn, {sup 56}Fe, {sup 56}Co, {sup 56}Ni, {sup 56}Cu, and {sup 56}Zn from various reaction and decay experiments together with their adopted levels and {gamma} transition properties is summarized and presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Direct identification of interstitial Mn in heavily p-type doped GaAs and evidence of its high thermal stability

We report on the lattice location of Mn in heavily p-type doped GaAs by means of {beta}{sup -} emission channeling from the decay of {sup 56}Mn. The majority of the Mn atoms substitute for Ga and up to 31% occupy the tetrahedral interstitial site with As nearest neighbors. Contrary to the general belief, we find that interstitial Mn is immobile up to 400 deg. C, with an activation energy for diffusion of 1.7-2.3 eV. Such high thermal stability of interstitial Mn has significant implications on the strategies and prospects for achieving room temperature ferromagnetism in Ga{sub 1-x}Mn{sub x}As.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mixed Zn and O substitution of Co and Mn in ZnO

The physical properties of an impurity atom in a semiconductor are primarily determined by the lattice site it occupies. In general, this occupancy can be correctly predicted based on chemical intuition, but not always. We report on one such exception in the dilute magnetic semiconductors Co- and Mn-doped ZnO, experimentally determining the lattice location of Co and Mn using {beta}{sup -}-emission channeling from the decay of radioactive {sup 61}Co and {sup 56}Mn implanted at the ISOLDE facility at CERN. Surprisingly, in addition to the majority substituting for Zn, we find up to 18% (27%) of the Co (Mn) atoms in O sites, which is virtually unaffected by thermal annealing up to 900 deg. C. We discuss how this anion site configuration, which had never been considered before for any transition metal in any metal oxide material, may in fact have a low formation energy. This suggests a change in paradigm regarding transition-metal incorporation in ZnO and possibly other oxides and wide-gap semiconductors.

36 MATERIALS SCIENCE↗

A versatile apparatus for on-line emission channeling experiments

The concept and functionality of an apparatus dedicated to emission channeling experiments using short-lived isotopes on-line at ISOLDE/CERN is described. The setup is assembled in two functional blocks – (a) base stand including beam collimation, implantation and measurement chamber, cryogenic extension, and vacuum control system and (b) Panmure goniometer extension including maneuvering cradle and sample heating furnace. This setup allows for in situ implantation and sample analysis in the as-implanted state and upon cooling down to 50 K and during annealing up to 1200 K. The functionality of the setup will be illustrated with the example of establishing the lattice location of {sup 56}Mn probes implanted into GaAs.

43 PARTICLE ACCELERATORS↗

A new formulation of UMC and an Evaluation of the {sup 55}Mn(n,{gamma}){sup 56}Mn Dosimetry Reaction Cross Section (a.k.a. 'Toy Story 4')

Two relatively new approaches to neutron cross section data evaluation are described. They are known collectively as Unified Monte Carlo (versions UMC-G and UMC-B). Comparisons are made between these two methods, as well as with the well-known generalized least-squares (GLSQ) technique, through the use of simple, hypothetical (toy) examples. These new Monte Carlo methods are based on stochastic sampling of probability functions that are constructed with the use of theoretical and experimental data by applying the principle of maximum entropy. No further assumptions are involved in either UMC-G or UMC-B. However, the GLSQ procedure requires the linearization of non-linear terms, such as those that occur when cross section ratio data are included in an evaluation. It is shown that these two stochastic techniques yield results that agree well with each other, and with the GLSQ method, when linear data are involved, or when the perturbations due to data discrepancies and nonlinearity effects are small. Otherwise, there can be noticeable differences. The present investigation also demonstrates, as observed in earlier work, that the least-squares approach breaks down when these conditions are not satisfied. This paper also presents an actual evaluation of the {sup 55}Mn(n,{gamma}) {sup 56}Mn neutron dosimetry reaction cross section in the energy range from 100 keV to 20 MeV, which was performed using both GLSQ and UMC-G approaches. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

SU-E-T-612: Photonuclear Activation of Prosthetic Hips in Radiotherapy

Purpose: To measure the neutron induced activation of a prosthetic hip when exposed to an 18 MV radiotherapy linac beam to assess the potential dose to patients. Methods: A prosthetic hip (Thackray, UK) was placed in a water phantom and irradiated (both in-field and out-of-field) with an 18 MV linac beam. Gamma spectroscopy was used to identify the radioisotopes produced. Following the in-field irradiation where the induced activity is higher, high sensitivity lithium fluoride Thermoluminescence Dosimeters (TLD-100H) (Harshaw, USA) were placed on the surface to measure the dose which would be deposited to nearby tissue resulting from the induced radioactivity. Results: The radioisotopes produced in the hip prosthesis have been identified as {sup 5{sup 2}}V, {sup 5{sup 3}}Fe, and {sup 56}Mn which have half-lives of 3.74, 8.51 and minutes respectively. The 378 and 511 keV characteristic peaks of {sup 5{sup 3}}Fe do not appear in the spectra collected from hips irradiated in the out-of-field region. This isotope is produced by photonuclear interactions within the hip itself. {sup 52}V and {sup 56}Mn appear in spectra collected from hips irradiated either within the photon beam or in the nearby out-of-field region, implying that they are produced by incident neutron radiation produced in components of the linear accelerator.The integrated dose which would be deposited in the tissue immediately surrounding the hip after four hours (1.5 half-lives of the longest lived product) was measured as approximately 100 µGy, following a 10,000 MU irradiation of the prosthesis. A highly accurate measurement of the dose is challenging because of the irregular shape of the prosthesis. Conclusion: The cumulative dose measured at the surface of the hip is 0.0001% of the in-field dose, and is therefore negligible compared with the doses the patient receives as a consequence of their treatment.

61 RADIATION PROTECTION AND DOSIMETRY↗

TU-F-CAMPUS-T-01: Dose and Energy Spectra From Neutron Induced Radioactivity in Medical Linear Accelerators Following High Energy Total Body Irradiation

Purpose: To assess the risk posed by neutron induced activation of components in medical linear accelerators (linacs) following the delivery of high monitor unit 18 MV photon beams such as used in TBI. Methods: Gamma spectroscopy was used to identify radioisotopes produced in components of a Varian 21EX and an Elekta Synergy following delivery of photon beams. Dose and risk estimates for TBI were assessed using dose deliveries from an actual patient treatment. A 1 litre spherical ion chamber (PTW, Germany) has been used to measure the dose at the beam exit window and at the total body irradiation (TBI) treatment couch following large and small field beams with long beam-on times. Measurements were also made outside of the closed jaws to quantify the benefit of the attenuation provided by the jaws. Results: The radioisotopes produced in the linac head have been identified as {sup 187}W, {sup 56}Mn, {sup 24}Na and {sup 28}Al, which have half-lives from between 2.3 min to 24 hours. The dose at the beam exit window following an 18 MV 2197 MU TBI beam delivery was 12.6 µSv in ten minutes. The dose rate at the TBI treatment couch 4.8 m away is a factor of ten lower. For a typical TBI delivered in six fractions each consisting of four beams and an annual patient load of 24, the annual dose estimate for a staff member at the treatment couch for ten minutes is 750 µSv. This can be further reduced by a factor of about twelve if the jaws are closed before entering the room, resulting in a dose estimate of 65 µSv. Conclusion: The dose resulting from the activation products for a representative TBI workload at our clinic of 24 patients per year is 750 µSv, which can be further reduced to 65 µSv by closing the jaws.

61 RADIATION PROTECTION AND DOSIMETRY↗

Electron screening effect in (p,n) and (p,γ) reactions

To investigate the electron screening effect we compared γ-ray and neutron yields in different metals and insulators (Mn, V and Cd – metals and MnO, VO{sub 2} and CdO – insulators) for the proton induced nuclear reactions {sup 55}Mn(p,n){sup 55}Fe, {sup 55}Mn(p,γ){sup 56}Fe, {sup 113}Cd(p,n){sup 113}In and {sup 51}V(p,γ){sup 52}Cr. We also looked for shifts in resonance energy for metallic compared to insulator targets.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Neutrino-nucleus reactions based on recent structure studies

Neutrino-nucleus reactions are studied with the use of new shell model Hamiltonians, which have proper tensor components in the interactions and prove to be successful in the description of Gamow-Teller (GT) strengths in nuclei. The new Hamiltonians are applied to obtain new neutrino-nucleus reaction cross sections in {sup 12}C, {sup 13}C, {sup 56}Fe and {sup 56}Ni induced by solar and supernova neutrinos. The element synthesis by neutrino processes in supernova explosions is discussed with the new cross sections. The enhancement of the production yields of {sup 7}Li, {sup 11}B and {sup 55}Mn is obtained while fragmented GT strength in {sup 56}Ni with two-peak structure is found to result in smaller e-capture rates at stellar environments. The monopole-based universal interaction with tensor force of π+ρ meson exchanges is used to evaluate GT strength in {sup 40}Ar and ν-induced reactions on {sup 40}Ar. It is found to reproduce well the experimental GT strength in {sup 40}Ar.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nuclear Data Sheets for A = 54

The 2005 evaluation for A=54 (2006Hu08) has been updated. Detailed experimental nuclear structure data and decay data for all nuclei with mass chain A=54 are presented in this current evaluation. The new data and information are given in following datasets: {sup 54}Ca: {sup 9}Be({sup 76}Ge, X) and Be({sup 55}Sc, p), ({sup 56}Ti, 2p) {sup 54}Sc: {sup 54}Ca β{sup −} decay and {sup 54}Sc IT decay {sup 54}Ti: {sup 54}Sc β{sup −} decay {sup 54}Cr: {sup 54}Mn ε decay, {sup 56}Fe(μ, nupng), and {sup 238}U({sup 64}Ni, Xγ) {sup 54}Mn: {sup 51}V({sup 20}Ne, Xγ), {sup 55}Mn(p, pn), and {sup 56}Fe(μ, nu2ng) {sup 54}Fe: {sup 58}Ni α decay, {sup 9}Be({sup 55}Co, Xγ), {sup 54}Fe(e, e'), {sup 54}Fe(p, p'), and Coulomb Excitation {sup 54}Co: {sup 54}Ni ε decay, {sup 55}Cu εp decay, {sup 28}Si({sup 32}S, αpnγ), {sup 54}Fe(p,n), and {sup 54}Fe({sup 3}He, t) {sup 54}Ni: {sup 54}Ni IT decay, {sup 55}Zn εp decay, {sup 9}Be({sup 55}Ni, Xγ), and {sup 24}Mg({sup 32}S, Xγ) {sup 54}Zn: Ni({sup 58}Ni, X)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Description of the first fungal dye-decolorizing peroxidase oxidizing manganese(II)

Two phylogenetically divergent genes of the new family of dye-decolorizing peroxidases (DyPs) were found during comparison of the four DyP genes identified in the Pleurotus ostreatus genome with over 200 DyP genes from other basidiomycete genomes. The heterologously expressed enzymes ( Pleos -DyP1 and Pleos -DyP4, following the genome nomenclature) efficiently oxidize anthraquinoid dyes (such as Reactive Blue 19), which are characteristic DyP substrates, as well as low redox-potential dyes (such as 2,2-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid)) and substituted phenols. However, only Pleos -DyP4 oxidizes the high redox-potential dye Reactive Black 5, at the same time that it displays high thermal and pH stability. Unexpectedly, both enzymes also oxidize Mn 2+ to Mn 3+ , albeit with very different catalytic efficiencies. Pleos -DyP4 presents a Mn 2+ turnover (56 s –1 ) nearly in the same order of the two other Mn 2+ -oxidizing peroxidase families identified in the P. ostreatus genome: manganese peroxidases (100 s–1 average turnover) and versatile peroxidases (145 s –1 average turnover), whose genes were also heterologously expressed. Oxidation of Mn 2+ has been reported for an Amycolatopsis DyP (24 s –1 ) and claimed for other bacterial DyPs, albeit with lower activities, but this is the first time that Mn 2+ oxidation is reported for a fungal DyP. Interestingly, Pleos -DyP4 (together with ligninolytic peroxidases) is detected in the secretome of P. ostreatus grown on different lignocellulosic substrates. In conclusion, it is suggested that generation of Mn 3+ oxidizers plays a role in the P. ostreatus white-rot lifestyle since three different families of Mn 2+ -oxidizing peroxidase genes are present in its genome being expressed during lignocellulose degradation.

59 BASIC BIOLOGICAL SCIENCES↗

Characterisation of chemically lithiated heat-treated electrolytic manganese dioxide

Highlights: ► Manganese oxides are a promising cathode material for lithium ion batteries. Here we examine the structural and morphological changes that occur upon reduction, and assess its impact on material performance. ► Upon reduction, MnO{sub 2} transforms into LiMn{sub 2}O{sub 4}, which is subsequently reduced to Li{sub 2}Mn{sub 2}O{sub 4}. ► Significant morphological changes occur, particularly to the material porosity. ► This transformation for MnO{sub 2} has not been reported previously. -- Abstract: Heat treated manganese dioxide is partially lithiated using butyl-lithium to determine the changes in crystal structure, chemical composition and morphology upon reduction, as a means of simulating its discharge behaviour in a non-aqueous battery cathode. As reduction proceeds, and lithium ions are inserted into the heat treated electrolytic manganese dioxide (EMD) structure, the material undergoes a phase transition to LiMn{sub 2}O{sub 4}. This new phase is further reduced to Li{sub 2}Mn{sub 2}O{sub 4}. Reduction initially results in a 56% decrease in the surface area of the material; however, at higher degrees of reduction a slight increase in this value is observed, as a consequence of the strain placed on the lattice through continued lithium insertion.

36 MATERIALS SCIENCE↗

Neutrino-Nucleus Reactions at MeV Region based on New Shell-Model Hamiltonians

Neutrino-nucleus reactions at MeV region are evaluated by using new shell model Hamiltonians, which are found to improve the description of spin degrees of freedom in nuclei as well as shell evolutions. The light element synthesis by neutrino processes in supernova explosions is discussed with the use of the new reaction cross sections for {sup 12}C and {sup 4}He. Possible constraints on the mixing angle {theta}{sub 13} and the neutrino mass hierarchy are pointed out to be imposed by the production yields of {sup 7}Li and {sup 11}B. Spin-dipole transition strengths in {sup 16}O and neutrino-induced reactions on {sup 16}O are investigated with the new improved Hamiltonian. The Gamow-Teller transition strength in {sup 56}Ni for the new Hamiltonian, which is more fragmented compared to previous calculations, is found to lead to the enhancement of the production yield of {sup 55}Mn in population III stars.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

IER-519 CED-2: Final Design for Thermal/Epithermal eXperiments (TEX) with Absorbers to Provide Validation Benchmarks for Hanford Tank Farms

The Hanford tank farms contain 56 million gallons of waste across 177 tanks. The primary criticality safety concern for the waste is the plutonium inventory in waste solids – approximately 670 kg in total. Criticality safety analysis credits the absorption and dilution properties of the large quantities of other elements (aluminum, chromium, iron, manganese, nickel, silicon, sodium, and zirconium) present in the waste. Of these, iron and manganese are by far the most significant neutron absorbers, particularly for the waste compositions of highest criticality safety concern. The criticality safety analyses at the Hanford Waste Treatment and Vitrification Plant (WTP) and the Savannah River tank farms also credit iron and manganese as the primary neutron absorbers to demonstrate subcriticality.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evaluation of Neutron Radiography Reactor LEU-Core Start-Up Measurements

Benchmark models were developed to evaluate the cold-critical start-up measurements performed during the fresh core reload of the Neutron Radiography (NRAD) reactor with Low Enriched Uranium (LEU) fuel. Experiments include criticality, control-rod worth measurements, shutdown margin, and excess reactivity for four core loadings with 56, 60, 62, and 64 fuel elements. The worth of four graphite reflector block assemblies and an empty dry tube used for experiment irradiations were also measured and evaluated for the 60-fuel-element core configuration. Dominant uncertainties in the experimental k eff come from uncertainties in the manganese content and impurities in the stainless steel fuel cladding as well as the 236 U and erbium poison content in the fuel matrix. Calculations with MCNP5 and ENDF/B-VII.0 neutron nuclear data are approximately 1.4% (9σ) greater than the benchmark model eigenvalues, which is commonly seen in Monte Carlo simulations of other TRIGA reactors. Simulations of the worth measurements are within the 2σ uncertainty for most of the benchmark experiment worth values. The complete benchmark evaluation details are available in the 2014 edition of the International Handbook of Evaluated Reactor Physics Benchmark Experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Epoxidation of cyclopentene by a low cost and environmentally friendly bicarbonate/peroxide/manganese system

The system hydrogen peroxide/sodium bicarbonate/manganese sulfate was used for the first time to epoxidize cyclopentene. Effects of parameters such as type and amount of solvent, ratio of hydrogen peroxide and manganese sulfate to cyclopentene, presence of additives, and reaction time and temperature on the selectivity to cyclopentene oxide were evaluated. Gas chromatography was used to quantify residual cyclopentene and produced cyclopentene oxide using the internal standard method. Type and amount of solvent, addition method, and temperature were important factors to increase the selectivity to cyclopentene oxide. Unlike previous reports on epoxidation of different substrates, additives like sodium acetate and salicylic acid did not improve the selectivity to cyclopentene oxide. One time, single-step addition of hydrogen peroxide/sodium bicarbonate to the solution of cyclopentene/solvent/manganese sulfate produced more cyclopentene oxide than stepwise addition. The maximum selectivity obtained was 56%, possibly due to the high reactivity of cyclopentene that causes the formation of oxidation products different to cyclopentene oxide, which were not detected in the analyzed phase.

, epoxidation↗