Quantum magnetism, philosophy, and neutron scattering [Slides]
Abstract not provided.
36 MATERIALS SCIENCE↗
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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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DECOVALEX-2023: Task G, SAFENET Final Report
DECOVALEX Task G deals with fracture mechanics at several scales using a combined approach of experimental work, related model development, benchmarking and experimental analysis. Fig. 0.1 provides a graphical abstract for Task G. The experimental basis for the related mechanical (M), hydro-mechanical (HM), and thermo-mechanical (TM) processes comes from the rock mechanics laboratories of Universities of Freiberg (TUBAF) and Edinburgh, as well as the Korea Institute of Civil Engineering and Building Technology (KICT). The experimental work in the rock laboratories is closely linked to the underground research laboratories (URLs) Reiche Zeche (Germany), KURT (Korea), and Mont Terri (Switzerland). The scientific key questions are related to fracture permeability evolution under THM conditions, anisotropy effects on fracturing processes, and thermal fracture slip, which are being addressed in specific steps of the task. A large variety of numerical methods have been developed and applied for experimental analysis, ranging from continuum to discontinuum approaches. A detailed comparison of mechanical and hydro-mechanical processes is given in the section 3 via the benchmarking exercises. As a result of DECOVALEX-2023 Task G we further improved our understanding and predictability of fracturing processes under THM conditions. This was based on robust numerical simulation methods and in-depth experimental analysis.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Ground-Truthing: Exploratory Borehole Characterization and Modeling to Verify and Expand Techno-Economic Evaluation of Earth Source Heat at Cornell U
This report documents the successful completion of DOE award DE-EE0009255: Ground- Truthing: Exploratory Borehole Characterization and Modeling to Verify and Expand Techno- Economic Evaluation of Earth Source Heat at Cornell University . Cornell University is evaluating the technical and economic feasibility of using deep direct-use (DDU) geothermal energy, referred to locally as Earth Source Heat (ESH), to serve as a renewable energy source for campus heating. To meet this objective, Cornell drilled an approximately 3-kilometer-deep exploratory borehole: the Cornell University Borehole Observatory (CUBO), or ESH-1. The team conducted an extensive suite of geophysical, hydrologic, thermal, mechanical, and geochemical measurements to evaluate subsurface conditions and geothermal development potential. This report summarizes the well drilling and testing tasks, findings, and conclusions.
15 GEOTHERMAL ENERGY↗
Quantum entanglement witnesses and the future of neutron scattering
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71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Potential Applications of Quantum Computing at Los Alamos National Laboratory, v0.3.0
Since the scientific revolution in the 16th and 17th centuries, the process of scientific discovery has followed an iterative feedback process of observation, hypothesis development and testing with physical experiments, which is widely referred to as the scientific method. This process remained largely unchanged until the middle of the 20th century, when the emergence of digital computers empowered scientist to build and inspect detailed simulations of physical phenomena. Over the last century, computational tools have transformed modern approaches to scientific discovery by enabling fast and affordable hypothesis testing before physical experiments are conducted, shown in Figure 1-1. Some notable examples include: global climate forecasts to understand how the environment may change over decades [130]; modeling the behavior of plasma to design fusion reactors [59]; and understanding the behavior of molecules in biological processes [161, 223].
36 MATERIALS SCIENCE↗
Photon production rate from Transverse-Longitudinal ( T – L) mesonic correlator on the lattice
Thermal photons from the QGP provide important information about the interaction among plasma constituents. The photon production rate from a thermally equilibrated system is proportional to the transverse spectral function ρ T (ω = |k → |,k → ). One can also calculate the photon production rate from the difference between ρ T (ω, k → ) (transverse) and ρ L (ω, k → ) (longitudinal) projections, as ρL vanishes on the photon point. Because the UV part of ρ T – ρ L is suppressed, the corresponding Euclidean correlator receives most of its contribution from the IR part. We calculate the T – L correlator on N f = 2 + 1 flavour HISQ configurations with m l = m s /5 at temperature of about 1.15T ρc (220 MeV). We have used two ansätze for the spectral function: 1) A polynomial connected to the UV region consistent with OPE expansion and 2) a hydro-inspired spectral function. We have also applied the Backus-Gilbert method to estimate the spectral function. All these different approaches are combined to estimate the photon production rate.
Bala, Dibyendu↗
input4MIPs.CMIP7.FZJ.FZJ-CMIP-nitrogen-1-1
CMIP7 Forcing Datasets (input4MIPs). This dataset FZJ-CMIP-nitrogen-1-1 is part of input4MIPs under dataset_category: "['surfaceFluxes']". More information about the dataset can be found at the following links: https://input4mips-cvs.readthedocs.io/en/latest/dataset-overviews/nitrogen-deposition https://input4mips-controlled-vocabularies-cvs.readthedocs.io/en/stable/database-views/input4MIPs_source-id_CMIP7.html https://input4mips-controlled-vocabularies-cvs.readthedocs.io/en/stable/dataset-overviews/ The dataset is available at: https://esgf-node.ornl.gov/search/input4mips/?mip_era=CMIP7&activity_id=input4MIPs&institution_id=FZJ&source_id=FZJ-CMIP-nitrogen-1-1
54 ENVIRONMENTAL SCIENCES↗
input4MIPs.CMIP7.FZJ.FZJ-CMIP-ozone-1-2
CMIP7 Forcing Datasets (input4MIPs). This dataset FZJ-CMIP-ozone-1-2 is part of input4MIPs under dataset_category: "['ozone']". More information about the dataset can be found at the following links: https://input4mips-cvs.readthedocs.io/en/latest/dataset-overviews/ozone https://input4mips-controlled-vocabularies-cvs.readthedocs.io/en/stable/database-views/input4MIPs_source-id_CMIP7.html https://input4mips-controlled-vocabularies-cvs.readthedocs.io/en/stable/dataset-overviews/ The dataset is available at: https://esgf-node.ornl.gov/search/input4mips/?mip_era=CMIP7&activity_id=input4MIPs&institution_id=FZJ&source_id=FZJ-CMIP-ozone-1-2
54 ENVIRONMENTAL SCIENCES↗
Thermal Stability and Decomposition Products of P-Doped Ferrihydrite
This work aimed to determine the effect of various amounts of P admixtures in synthetic ferrihydrite on its thermal stability, transformation processes, and the properties of the products, at a broad range of temperatures up to 1000 °C. A detailed study was conducted using a series of synthetic ferrihydrites Fe 5 HO 8 ·4H 2 O doped with phosphates at P/Fe molar ratios of 0.2, 0.5, and 1.0. Ferrihydrite was synthesized by a reaction of Fe 2 (SO 4 ) 3 with 1 M KOH at room temperature in the presence of K 2 HPO 4 at pH 8.2. The products of the synthesis and the products of heating were characterized at various stages of transformation by using differential thermal analysis accompanied with X-ray diffraction, Fourier transform infrared spectroscopy, and scanning electron microscopy-energy dispersive X-ray spectroscopy. Coprecipitation of P with ferrihydrite results in the formation of P-doped 2-line ferrihydrite. A high P content reduces crystallinity. Phosphate significantly inhibits the thermal transformation processes. The temperature of thermal transformation increases from below 550 to 710–750 °C. Formation of intermediate maghemite and Fe-phosphates, is observed. The product of heating up to 1000 °C contains hematite associated with rodolicoite FePO 4 and grattarolaite Fe 3 PO 7 . Higher P content greatly increases the thermal stability and transformation temperature of rodolicoite as well.
thermal transformations↗
Structural Assessment of Fluorine, Chlorine, Bromine, Iodine, and Hydroxide Substitutions in Lead Arsenate Apatites (Mimetites)–Pb 5 (AsO 4 ) 3 X
Five lead-arsenate apatites (mimetites)-Pb 5 (AsO 4 ) 3 X—where X denotes fluorine (F), chlorine (Cl), bromine (Br), iodine (I), and hydroxide (OH)—were synthesized via precipitation from aqueous solutions. The crystal structures were determined through Rietveld refinement of powder synchrotron X-ray data. All the compounds crystallized in the hexagonal class symmetry (space group P6 3 /m). The Rietveld refinement indicated that mimetite-Cl, -Br, -I, and -OH had an anion deficiency at position X. Substitution of halogens in a mimetite structure brought about systematic changes in unit-cell parameters, interatomic distances, and metaprism twist angles φ, proportional to the substituted halogen’s ionic radius. Mimetite-OH did not follow the linear correlations determined within the series. Twist angle φ, a useful device for monitoring changes in apatite topology, ranged from 20.34° for mimetite-F to 11.42° for mimetite-I. The geometric method has been proposed for determining the diameter of hexagonal channels hosting halogens in apatites. A comparison of the results with halogenated pyromorphites showed similar systematic trends: the substitutions in mimetites have comparable effect on the interatomic distances as in their phosphorous analogues.
58 GEOSCIENCES↗
Solubility Product of Vanadinite Pb 5 (VO 4 ) 3 Cl at 25 °C—A Comprehensive Approach to Incongruent Dissolution Modeling
Although vanadinite (Pb 5 (VO 4 ) 3 Cl occurs in abundance in various terrestrial geochemical systems of natural and anthropogenic origin and is seriously considered as a potential nuclear waste sequestering agent, its actual application is severely limited by a lack of understanding of its basic thermodynamic parameters. In this regard, the greatest challenge is posed by its incongruent dissolution, which is a pivotal hurdle for effective geochemical modeling. Our paper presents an universal approach for geochemical computing of systems undergoing incongruent dissolution which, along with unique, long-term experiments on vanadinites’ stability, allowed us to determine the mineral solubility constant. The dissolution experiments were carried out at pH = 3.5 for 12 years. Vanadinite has dissolved incongruently, continuously re-precipitating into chervetite (Pb 2 V 2 O 7 ) with the two minerals remaining in mutual equilibrium until termination of the experiments. The empirically derived solubility constant K sp,V,298 = 10 –91.89 ± 0.05 of vanadinite was determined for the first time. The proposed modeling method is versatile and can be adopted to other mineral systems undergoing incongruent dissolution.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Evaluating stratospheric ozone and water vapour changes in CMIP6 models from 1850 to 2100
Abstract. Stratospheric ozone and water vapour are key components of the Earth system, and past and future changes to both have important impacts on global and regional climate. Here, we evaluate long-term changes in these species from the pre-industrial period (1850) to the end of the 21st century in Coupled Model Intercomparison Project phase 6 (CMIP6) models under a range of future emissions scenarios. There is good agreement between the CMIP multi-model mean and observations for total column ozone (TCO), although there is substantial variation between the individual CMIP6 models. For the CMIP6 multi-model mean, global mean TCO has increased from ∼ 300 DU in 1850 to ∼ 305 DU in 1960, before rapidly declining in the 1970s and 1980s following the use and emission of halogenated ozone-depleting substances (ODSs). TCO is projected to return to 1960s values by the middle of the 21st century under the SSP2-4.5, SSP3-7.0, SSP4-3.4, SSP4-6.0, and SSP5-8.5 scenarios, and under the SSP3-7.0 and SSP5-8.5 scenarios TCO values are projected to be ∼ 10 DU higher than the 1960s values by 2100. However, under the SSP1-1.9 and SSP1-1.6 scenarios, TCO is not projected to return to the 1960s values despite reductions in halogenated ODSs due to decreases in tropospheric ozone mixing ratios. This global pattern is similar to regional patterns, except in the tropics where TCO under most scenarios is not projected to return to 1960s values, either through reductions in tropospheric ozone under SSP1-1.9 and SSP1-2.6, or through reductions in lower stratospheric ozone resulting from an acceleration of the Brewer–Dobson circulation under other Shared Socioeconomic Pathways (SSPs). In contrast to TCO, there is poorer agreement between the CMIP6 multi-model mean and observed lower stratospheric water vapour mixing ratios, with the CMIP6 multi-model mean underestimating observed water vapour mixing ratios by ∼ 0.5 ppmv at 70 hPa. CMIP6 multi-model mean stratospheric water vapour mixing ratios in the tropical lower stratosphere have increased by ∼ 0.5 ppmv from the pre-industrial to the present-day period and are projected to increase further by the end of the 21st century. The largest increases (∼ 2 ppmv) are simulated under the future scenarios with the highest assumed forcing pathway (e.g. SSP5-8.5). Tropical lower stratospheric water vapour, and to a lesser extent TCO, shows large variations following explosive volcanic eruptions.
54 ENVIRONMENTAL SCIENCES↗
Hunga Tonga–Hunga Ha′apai Volcano Impact Model Observation Comparison (HTHH-MOC) project: experiment protocol and model descriptions
The 2022 Hunga volcanic eruption injected a significant amount of water vapor and a moderate amount of sulfur dioxide into the stratosphere, causing observable responses in the climate system. We have developed a model–observation comparison project to investigate the evolution of volcanic water and aerosols and their impacts on atmospheric dynamics, chemistry, and climate, using several state-of-the-art chemistry climate models. The project goals are (1) to evaluate the current chemistry–climate models to quantify their performance in comparison to observations and (2) to understand atmospheric responses in the Earth system after this exceptional event and investigate the potential impacts in the projected future. To achieve these goals, we designed specific experiments for direct comparisons to observations, for example from balloons and the Microwave Limb Sounder satellite instrument. Experiment 1 consists of two sets of free-running ensemble experiments from 2022 to 2031: one with fixed sea-surface temperatures and sea ice and one with coupled ocean. These experiments will help to understand the long-term evolution of water vapor and aerosols; quantify HTHH effects on stratospheric and mesospheric temperatures, dynamics, and transport; understand the impact of dynamic changes on ozone chemistry; quantify the net radiative forcings; and evaluate any surface climate impact. Experiment 2 is a nudged-run experiment from 2022 to 2023 using observed meteorology. To allow participation of more climate models with varying complexities of aerosol simulation, we include two sets of simulations in Experiment 2: Experiment 2a is designed for models with internally generated aerosol, while Experiment 2b is designed for models using prescribed aerosol surface area density. This experiment will help to analyze H 2 O and aerosol evolution, quantify the net radiative forcings, understand the impacts on mid-latitude and polar O 3 chemistry, and allow close comparisons with observations.
Zhu, Yunqian [Univ. of Colorado, Boulder, CO (Unit↗
Towards 2+1 Flavor Lattice QCD Results for the Heavy Quark Diffusion Coefficient
We apply and extend a novel approach to non-perturbatively estimate the heavy-quark momentum diffusion coefficient κ, which is a key input for the theoretical description of heavy quarkonium production in heavy ion collisions, and is important for the understanding of the elliptic flow and nuclear suppression factor of heavy flavor hadrons. In the heavy-quark limit, this coefficient is encoded in the spectral functions of color-electric and color-magnetic correlators that we calculate on the lattice to high pre cision by applying gradient flow. In a recent study we have considered quenched QCD at 1.5 T c , where we performed a detailed study of the lat tice spacing and flow time dependence of the color-electric correlator, and, using theoretically well-established model fits for the spectral reconstruc tion, we estimated the heavy-quark diffusion coefficient. Equipped with the experience obtained in quenched QCD, we estimate $κ$ from 2+1 flavor QCD ensembles at small but finite lattice spacing and flow time without increasing systematic errors significantly.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Nonlinear substructuring method for concurrent processing computers
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Storaasli, Olaf O.↗
Solution of structural analysis problems on a parallel computer
The problems of a blade-stiffened panel with a hole subjected to compression, and a deployable space mast subjected to tip loads, are treated through the application of FEM to model generation followed by the solution of a linear system of equations. Direct and iterative approaches to the solution of the linear systems are solved in turn; for the panel problems using varying numbers of processors, the incomplete Cholesky-conjugate gradient method was the fastest iterative method on all but two instances in which the number of processors was large.
Storaasli, Olaf↗
Three parallel computation methods for structural vibration analysis
The Lanczos (1950), multisectioning, and subspace iteration sequential methods for vibration analysis presently used as bases for three parallel algorithms are noted, in the aftermath of three example problems, to maintain reasonable accuracy in the computation of vibration frequencies. Significant computation time reductions are obtained as the number of processors increases. An analysis is made of the performance of each method, in order to characterize relative strengths and weaknesses as well as to identify those parameters that most strongly affect computation efficiency.
Storaasli, Olaf↗