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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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DOE OSTI2020

Yb:Lu 2 O 3 hydrothermally grown single-crystal high-resolution absorption spectra obtained between 8 and 300 K

Here we present new high-resolution absorption data for the important sesquioxide laser material Yb:Lu 2 O 3 for the spectral range of 880–1020 nm, at various temperatures between 8 and 300 K, and for the zero-phonon region from 960 to 990 nm, at temperatures from 8 to 300 K. We have experimentally observed the C 3i (0,1)–(1,3) transition for the first time, located at 880.7 nm at 8 K. Based on high confidence fitting functions to the experimental data, we provide the first complete compilation of all observed electronic and electronic–vibrational transitions. Detailed fitting and plots of the C 2 and C 3i zero-line data show an evolution of the linewidth from being predominantly electronic below about 100 K to being dominated by thermal processes above 100 K. We have also found evidence for a “soft” phase transition between 80 and 100 K that changes the local coordination environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Oxygen isotope evolution of the Lake Owyhee volcanic field, Oregon, and implications for the low-δ 18 O magmatism of the Snake River Plain–Yellowstone hotspot and other low-δ 18 O large igneous provinces

The Snake River Plain–Yellowstone (SRP-Y) hotspot track represents the largest known low-δ 18 O igneous province; however, debate persists regarding the timing and distribution of meteoric hydrothermal alteration and subsequent melting/assimilation relative to hotspot magmatism. To further constrain alteration relations for SRP-Y low-δ 18 O magmatism, we present in situ δ 18 O and U–Pb analyses of zircon, and laser fluorination δ 18 O analyses of phenocrysts, from the Lake Owyhee volcanic field (LOVF) of east-central Oregon. U–Pb data place LOVF magmatism between 16.3 and 15.4 Ma, and contain no evidence for xenocrystic zircon. LOVF δ 18 O(Zrc) values demonstrate (1) both low-δ 18 O and high-δ 18 O caldera-forming and pre-/post-caldera magmas, (2) relative increases in δ 18 O between low-δ 18 O caldera-forming and post-caldera units, and (3) low-δ 18 O magmatism associated with extension of the Oregon-Idaho Graben. The new data, along with new compilations of (1) in situ zircon δ 18 O data for the SRP-Y, and (2) regional δ 18 O(WR) and δ 18 O(magma) patterns, further constrain the thermal and structural associations for hydrothermal alteration in the SRP-Y. Models for low-δ 18 O magmatism must be compatible with (1) δ 18 O(magma) trends within individual SRP-Y eruptive centers, (2) along axis trends in δ 18 O(magma), and (3) the high concentration of low-δ 18 O magmas relative to the surrounding regions. When considered with the structural and thermal evolution of the SRP-Y, these constraints support low-δ 18 O magma genesis originating from syn-hotspot meteoric hydrothermal alteration, driven by hotspot-derived thermal fluxes superimposed on extensional tectonics. Lastly, this model is not restricted to continental hotspot settings and may apply to several other low-δ 18 O igneous provinces with similar thermal and structural associations.

58 GEOSCIENCES↗

DOE OSTI2023

Perspectives on Few-Body Cluster Structures in Exotic Nuclei

It is a fascinating phenomenon in nuclear physics that states with a pronounced few-body structure can emerge from the complex dynamics of many nucleons. Such halo or cluster states often appear near the boundaries of nuclear stability. As such, they are an important part of the experimental program beginning at the Facility for Rare Isotope Beams (FRIB). A concerted effort of theory and experiment is necessary both to analyze experiments involving effective few-body states, as well as to constrain and refine theories of the nuclear force in light of new data from these experiments. Here, as a contribution to exactly this effort, this paper compiles a collection of “perspectives” that emerged out of the Topical Program “Few-body cluster structures in exotic nuclei and their role in FRIB experiments” that was held at FRIB in August 2022 and brought together theorists and experimentalists working on this topic.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Review: Pre-Darcy flows in low-permeability porous media

The widely used Darcy’s law specifies a linear relation between the Darcy velocity of fluid flow and the pressure gradient that drives the flow. However, studies have shown that Darcy velocity can exhibit a nonlinear dependence on the pressure gradient in low-permeability porous media such as clay and shale when the pressure gradient is adequately low. This phenomenon is referred to as low-velocity non-Darcian flow or pre-Darcy flow. This paper provides a comprehensive review of the theories, experimental data, and modeling methods for pre-Darcy flow in low-permeability porous media. The review begins by outlining the fundamental mechanisms underlying pre-Darcy flow that regulate the unique characteristics such as nonlinear dependence of the Darcy velocity on the pressure gradient and its relevance to fluid–rock interactions. The review then proceeds to present a thorough compilation of experimental investigations performed in various low-permeability geomaterials including tight sandstones, shales, and clays. Next, empirical and theoretical models and simulation methods that have been developed to fit and interpret experimental data are reviewed. Finally, the review underscores the challenges encountered in conducting and interpreting pre-Darcy flow experiments and suggests future research directions. By analyzing previous experimental investigations, this review aims to offer a valuable resource for researchers and practitioners seeking to enhance their understanding of fluid dynamics in low-permeability geomaterials. This provides insights into the application of pre-Darcy flow in numerous natural and engineered processes such as shale oil and gas recovery, contaminant transport in low-permeability aquifers, and geological disposal of nuclear waste.

58 GEOSCIENCES↗

DOE OSTI2019

Decadal carbon decomposition dynamics in three peatlands in Northern Minnesota

The uppermost portion of the peat profile, an area of active diagenetic processes, is exceedingly important for understanding peatland dynamics and the diagenesis and geochemistry of atmospherically-deposited materials. In this study, we investigated high resolution carbon (C) accrual and peat decomposition rates at two Sphagnum-rich ombrotrophic bogs and one fen in northern Minnesota, USA by analyzing 1 cm increments from 30 cm thick intact frozen blocks of peat soil. We conducted radiocarbon analysis of Sphagnum cellulose to determine peat age and net C accumulation at each depth interval. Calibrated peat ages were determined using CALIBomb and a compilation of calibration datasets for the pre-bomb period. We fit data with a negative exponential accumulation model and used model-derived parameters to estimate net primary productivity (NPP) and a peat decomposition rate constant k. FTIR spectroscopy and C:N were used to derive humification indices and to chemically characterize the peat. NPP ranged from 180 to 266 g C m -2 year -1 , k ranged from 0.015 to 0.019 year -1 . Net C accumulation rates ranged from 112 to 174 g C m -2 year -1 at 25 years and 70 to 113 g C m -2 year-1 at 50 years. Mass loss was up to 55% during the first 50 years of peat accumulation. Decomposition is greater at depth in the bogs—where 25 cm of peat correspond to 55 years of peat accumulation—than in the fen, where peat age is approximately 25 years at 25 cm depth. Lastly, information on fine-scale variations in peat mass decomposition and loss across ombrotrophic bogs and a fen help interpret other diagenetic processes in peatlands.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

How much carbon can be added to soil by sorption?

Abstract Quantifying the upper limit of stable soil carbon storage is essential for guiding policies to increase soil carbon storage. One pool of carbon considered particularly stable across climate zones and soil types is formed when dissolved organic carbon sorbs to minerals. We quantified, for the first time, the potential of mineral soils to sorb additional dissolved organic carbon (DOC) for six soil orders. We compiled 402 laboratory sorption experiments to estimate the additional DOC sorption potential, that is the potential of excess DOC sorption in addition to the existing background level already sorbed in each soil sample. We estimated this potential using gridded climate and soil geochemical variables within a machine learning model. We find that mid- and low-latitude soils and subsoils have a greater capacity to store DOC by sorption compared to high-latitude soils and topsoils. The global additional DOC sorption potential for six soil orders is estimated to be 107 $$\pm$$ ± 13 Pg C to 1 m depth. If this potential was realized, it would represent a 7% increase in the existing total carbon stock.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2011

The RCP Greenhouse Gas Concentrations and their Extensions from 1765 to 2300

We present the greenhouse gas concentrations for the Representative Concentration Pathways (RCPs) and their extensions beyond 2100, the Extended Concentration Pathways (ECPs). These projections include all major anthropogenic greenhouse gases and are a result of a multi-year effort to produce new scenarios for climate change research. We first compiled a suite of observations and emissions estimates for greenhouse gases (GHGs) through the historical period (1750-2005). For the 21st century, we start from emissions projected by four different Integrated Assessment Models for 2005-2100. We harmonize these emissions to allow inter-comparability of scenarios and to achieve a smooth transition from historical data. These harmonized emissions are then used to derive future GHG concentrations. We also present the GHG concentrations for one supplementary extension, which illustrates the emissions implications of attempting to go back to ECP4.5 concentration levels after emissions in the 21st century followed RCP6. Corresponding radiative forcing values are also presented for the RCP and ECPs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

Determination of Earths transient and equilibrium climate sensitivities from observations over the twentieth century: Strong dependence on assumed forcing

Relations among observed changes in global mean surface temperature, ocean heat content, ocean heating rate, and calculated radiative forcing, all as a function of time over the twentieth century, that are based on a two-compartment energy balance model, are used to determine key properties of Earth's climate system. The increase in heat content of the world ocean, obtained as the average of several recent compilations, is found to be linearly related to the increase in global temperature over the period 1965-2009; the slope, augmented to account for additional heat sinks, which is an effective heat capacity of the climate system, is 21.8 {+-} 2.1 W year m{sup -2} K{sup -1} (one sigma), equivalent to the heat capacity of 170 m of seawater (for the entire planet) or 240 m for the world ocean. The rate of planetary heat uptake, determined from the time derivative of ocean heat content, is found to be proportional to the increase in global temperature relative to the beginning of the twentieth century with proportionality coefficient 1.05 {+-} 0.06 W m{sup -2} K{sup -1}. Transient and equilibrium climate sensitivities were evaluated for six published data sets of forcing mainly by incremental greenhouse gases and aerosols over the twentieth century as calculated by radiation transfer models; these forcings ranged from 1.1 to 2.1 W m{sup -2}, spanning much of the range encompassed by the 2007 assessment of the Intergovernmental Panel on Climate Change (IPCC). For five of the six forcing data sets, a rather robust linear proportionality obtains between the observed increase in global temperature and the forcing, allowing transient sensitivity to be determined as the slope. Equilibrium sensitivities determined by two methods that account for the rate of planetary heat uptake range from 0.31 {+-} 0.02 to 1.32 {+-} 0.31 K (W m{sup -2}){sup -1} (CO{sub 2} doubling temperature 1.16 {+-} 0.09-4.9 {+-} 1.2 K), more than spanning the IPCC estimated 'likely' uncertainty range, and strongly anticorrelated with the forcing used to determine the sensitivities. Transient sensitivities, relevant to climate change on the multidecadal time scale, are considerably lower, 0.23 {+-} 0.01 to 0.51 {+-} 0.04 K (W m{sup -2}){sup -1}. The time constant characterizing the response of the upper ocean compartment of the climate system to perturbations is estimated as about 5 years, in broad agreement with other recent estimates, and much shorter than the time constant for thermal equilibration of the deep ocean, about 500 years.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Molten Halide Salt Surface Tension: Methods and Correlations

Here, this paper reviews various methods for studying surface tension and their applicability to fluoride and chloride molten salt systems, including a comparison of benefits and drawbacks. Such a comparison aids in experiment design based on desired factors such as scale, accuracy, and repeatability. A detailed review is presented for existing literature data regarding the surface tension of molten fluoride and chloride salts. These reference data were compiled and analyzed to determine cross-validated correlation equations for several alkali and alkaline earth fluoride and chloride salts as functions of temperature. These correlations are necessary for reliable multiphysics modeling approaches as well as accurate design and analysis of multiphase molten salt phenomena such as gas sparging and bubble formation/transport. This analysis supports the development of the thermophysical arm of the Molten Salt Thermal Properties Database (MSTDB-TP) managed by Oak Ridge National Laboratory.

Chloride↗

DOE OSTI2018

Energy Levels, Radiative Rates, and Lifetimes for Transitions in Fe XIV

Energy levels, transition rates, and lifetimes are reported for the low-lying 129 levels of Fe XIV, belonging to the n = 3 states (1s{sup 2}2s{sup 2}2p{sup 6})3s{sup 2}3p, 3s3p{sup 2}, 3s{sup 2}3d, 3p{sup 3}, 3s3p3d, 3p{sup 2}3d, 3s3d{sup 2}, and 3p3d{sup 2}. High-accuracy calculations have been performed as benchmarks in the request for accurate treatments of relativity, electron correlation and quantum electrodynamic (QED) effects in multi-valence-electron systems. The calculated energy levels are in excellent agreement with the experimental results and the experimentally compiled energy values, of the National Institute for Standards and Technology wherever available. The calculated values including core–valence correlation are found to be in good agreement with other theoretical and experimental values.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

A review of slip transfer: applications of mesoscale techniques

In this review article, we present and discuss recent mesoscale modeling studies of slip transmission of dislocations through biphase interfaces. Specific focus is given to fcc/fcc material systems. We first briefly review experimental, atomistic, and continuum-scale work that has helped to shape our understanding of these systems. Then several mesoscale methods are discussed, including Peierls–Nabarro models, discrete dislocation dynamics models, and phase field-based techniques. Recent extensions to the mesoscale mechanics technique called phase field dislocation dynamics are reviewed in detail. Results are compiled and discussed in terms of the proposed guidelines that relate composite properties to the critical stress required for a slip transmission event.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Efficient Trainability of Linear Optical Modules in Quantum Optical Neural Networks

The existence of “barren plateau landscapes” for generic discrete-variable quantum neural networks, which obstructs efficient gradient-based optimization of cost functions defined by global measurements, would be surprising in the case of generic linear optical modules in quantum optical neural networks due to the tunability of the intensity of continuous variable states and the relevant unitary group having exponentially smaller dimension. We demonstrate that coherent light in m modes can be generically compiled efficiently if the total intensity scales sublinearly with m, and extend this result to cost functions based on homodyne, heterodyne, or photon detection measurement statistics, and to noisy cost functions in the presence of attenuation. Here, we further demonstrate efficient trainability of m mode linear optical quantum circuits for variational mean field energy estimation of positive quadratic Hamiltonians for input states that do not have energy exponentially vanishing with m.

47 OTHER INSTRUMENTATION↗

DOE OSTI2018

Electronic Properties and Fermi Surface for New Layered High-Temperature Superconductors CaAFe{sub 4}As{sub 4} (A = K, Rb, and Cs): FLAPW-GGA Calculations

Recently, new FeAs-based high-temperature superconductors CaAFe{sub 4}As{sub 4} (A = K, Rb, and Cs) with a layered tetragonal crystal structure were synthesized (T{sub C} ∼ 30 K). In this letter, we report for the first time the band structures, Fermi surface topology, total and partial densities of electronic states, and interatomic interactions for CaAFe{sub 4}As{sub 4} as estimated by means of the first-principle FLAPW-GGA calculations. The obtained data for CaAFe{sub 4}As{sub 4} phases are analyzed in comparison with each other and with other related FeAs systems. The interatomic bonding picture can be represented as a highly anisotropic mixture of metallic, covalent, and ionic contributions, which are realized inside Fe{sub 4}As{sub 4}-layered blocks and between these blocks and Ca, A atomic sheets. The Fermi surfaces of these systems have a multisheet character and are compiled of a large number of cylinders at the edges and in the central part of the Brillouin zone. It is established that the high-temperature superconductivity in CaAFe{sub 4}As{sub 4} compounds as in other related systems correlates well with such structure parameters as bond angles and anion height.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Cumulative fission yields of short-lived isotopes under natural-abundance-boron-carbide-moderated neutron spectrum

The availability of gamma spectroscopy data on samples containing mixed fission products at short times after irradiation is limited. Due to this limitation, data interpretation methods for gamma spectra of mixed fission product samples, where the individual fission products have not been chemically isolated from interferences, are not well-developed. The limitation is particularly pronounced for fast pooled neutron spectra because of the lack of available fast reactors in the United States. Samples containing the actinide isotopes 233, 235, 238U, 237Np, and 239Pu individually were subjected to a 2$ pulse in the Washington State University 1 MW TRIGA reactor. To achieve a fission-energy neutron spectrum, the spectrum was tailored using a natural abundance boron carbide capsule to absorb neutrons in the thermal and epithermal region of the spectrum. Our tailored neutron spectrum is unique to the WSU reactor facility, consisting of a soft fission spectrum that contains some measurable flux in the resonance region. This results in a neutron spectrum at greater than 0.1 keV with an average energy of 70 keV, similar to fast reactor spectra and approaching that of 235U fission. Unique fission product gamma spectra were collected from 4 minutes to 1 week after fission using single-crystal high purity germanium detectors. Cumulative fission product yields measured in the current work generally agree with published fast pooled fission product yield values from ENDF/B-VII, though a bias was noted for 239Pu. The present work contributes to the compilation of energy-resolved fission product yield nuclear data for nuclear forensic purposes.

Finn, Erin C.↗

DOE OSTI2019

Recommended nuclear data for medical radioisotope production: diagnostic positron emitters

An IAEA coordinated research project that began in 2012 and ended in 2016 was primarily dedicated to the compilation, evaluation and recommendation of cross-section data for the production of medical radionuclides. One significant part of this work focused on diagnostic positron emitters. These particular studies consist of 69 reactions for direct and indirect or generator production of 44 Sc( 44 Ti), 52 mMn( 52 Fe), 52 gMn, 55 Co, 61 Cu, 62 Cu( 62 Zn), 66 Ga, 68 Ga( 68 Ge), 72 As( 72 Se), 73 Se, 76 Br, 82 Rb( 82 Sr), 82 mRb, 86 Y, 89 Zr, 90 Nb, 94 mTc, 110 mIn( 110 Sn), 118 Sb( 118 Te), 120 I, 122 I( 122 Xe), 128 Cs( 128 Ba), and 140 Pr( 140 Nd) medical radionuclides. The resulting reference cross-section data were obtained from Padé fits to selected and corrected experimental data, and integral thick target yields were subsequently deduced. Uncertainties in the fitted results were estimated via a Padé least-squares method with the addition of a 4% assessed systematic uncertainty. Experimental data were also compared with theoretical predictions available from the TENDL-2015 and TENDL-2017 libraries.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2019

Results from the third Galaxy Serpent tabletop exercise demonstrating the utility of nuclear forensics libraries in support of an investigation

Galaxy Serpent is a virtual, web-based international ongoing series of tabletop exercises designed to mature the concept of National Nuclear Forensics Libraries (NNFL) and illustrate their utility in answering investigative questions or providing investigative leads as part of an investigation involving nuclear or other radioactive material (R/N) out of regulatory control (MORC). Two prior versions of the exercise have been conducted; the first utilizing surrogate data for spent nuclear fuel as the material of interest, and the second using synthetic sealed radioactive source data. Teams participating in the recently concluded third version of the exercise were provided with synthetic uranium ore concentrate (UOC) data mimicking actual data characteristics (e.g. trace element concentrations), which was used to compile a model NNFL. Teams decided how to organize and interpret the data they were provided, dealt with real world features such as missing data, and assessed discriminating attributes. Next, a hypothetical scenario involving three UOC samples found out of regulatory control was provided, and each team had to assess the self-consistency of the individual sources in the unknown data, and employ their model NNFL as a comparative assessment instrument to determine whether the three UOC materials in question were consistent with any of the types of materials in their library. In conclusion, the design of the exercise, methodologies utilized by participating teams, and aggregate results of the exercise will be presented, along with challenges encountered and benefits realized.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2012

Growth Rates of Global Energy Systems and Future Outlooks

The world is interconnected and powered by a number of global energy systems using fossil, nuclear, or renewable energy. This study reviews historical time series of energy production and growth for various energy sources. It compiles a theoretical and empirical foundation for understanding the behaviour underlying global energy systems' growth. The most extreme growth rates are found in fossil fuels. The presence of scaling behaviour, i.e. proportionality between growth rate and size, is established. The findings are used to investigate the consistency of several long-range scenarios expecting rapid growth for future energy systems. The validity of such projections is questioned, based on past experience. Finally, it is found that even if new energy systems undergo a rapid 'oil boom'-development-i.e. they mimic the most extreme historical events-their contribution to global energy supply by 2050 will be marginal.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2012

Accounting for Depletion of Oil and Gas Resources in Malaysia

Since oil and gas are non-renewable resources, it is important to identify the extent to which they have been depleted. Such information will contribute to the formulation and evaluation of appropriate sustainable development policies. This paper provides an assessment of the changes in the availability of oil and gas resources in Malaysia by first compiling the physical balance sheet for the period 2000-2007, and then assessing the monetary balance sheets for the said resource by using the Net Present Value method. Our findings show serious reduction in the value of oil reserves from 2001 to 2005, due to changes in crude oil prices, and thereafter the depletion rates decreased. In the context of sustainable development planning, albeit in the weak sustainability sense, it will be important to ascertain if sufficient reinvestments of the estimated resource rents in related or alternative capitals are being attempted by Malaysia. For the study period, the cumulative resource rents were to the tune of RM61 billion. Through a depletion or resource rents policy, the estimated quantum may guide the identification of a reinvestment threshold (after considering needed capital investment for future development of the industry) in light of ensuring the future productive capacity of the economy at the time when the resource is exhausted.

02 PETROLEUM↗