Soil chemical extractions can alter potassium coordination in agricultural soils: A combined wet che
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Schmidt, Emma J.↗
SEARCH · Engineering Papers
Results for “che”
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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Compact, High-Efficiency Air Handling Unit (CHE-AHU) for Residential HVAC Systems
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Dang, Thong↗
Exploring Multidimensional Spatial-Temporal Hydropower Operational Flexibilities by Modeling and Optimizing Water-Constrained Cascading Hydroelectric Systems
Because of unique characteristics such as clean and cost-competitive electricity as well as fast-ramping and storage abilities, the power industry continues to evolve its operation strategies for cascading hydroelectric (CHE) systems for providing enhanced values to the grid, especially under the deeper renewable resource integration. However, existing operation practices of CHEs predate the integration of renewables, which could prohibit the effective utilization of their inherent flexibilities in delivering maximum financial benefits and providing valuable grid services to the power system and electricity market operations. Indeed, modeling and optimizing these resource-limited while flexible CHE assets with uncertainties and imperfect information across multiple spatial-temporal dimensions present significant challenges. To facilitate CHE facility operators in effectively coordinating water usage and hydropower plant operations across multiple timescales, this project aims to fill the existing gaps by developing a suite of accurate water inflow (WI) forecast models as well as enhanced CHE modeling and optimization approaches with proper consideration of their unique characteristics, which would help explore their multidimensional spatial-temporal operational flexibility potentials. The developed approaches could better align reservoir operation strategies with variability and uncertainty of future water availability. They can also promote more effective utilization of multidimensional spatial-temporal hydropower operational flexibility potentials by designing long-term evacuation plans of reservoirs and short-term operation of CHEs, along with their coordination with other types of renewables. The project leverages various resources to facilitate the research and development activities, including actual characteristics data of CHE systems and a library of current and future cases of Portland General Electric (PGE). These realistic data enable the project team to study how to maximize the value of CHEs under current and future portfolios and evaluate opportunities to improve operation practices.
13 HYDRO ENERGY↗
Electrocatalytic Reduction of CO 2 to CO over Ag(110) and Cu(211) Modeled by Grand-Canonical Density Functional Theory
We report the results of modeling CO 2 reduction (CO 2 R) to CO over Ag(110) and Cu(211) surfaces at different applied potentials using grand-canonical density functional theory (GC-DFT), a method specifically designed to accurately model electrochemical systems. In addition to demonstrating GC-DFT’s ability to accurately model electrochemical processes, we also compare it with the computational hydrogen electrode (CHE) approach. GC-DFT predicts that the geometries of these reacting systems strongly depend on the applied potential and the Helmholtz free energies vary nonlinearly with the applied potential, which contradicts a central assumption of the CHE approach. The CHE approach neglects the change in the number of electrons on the electrode surface at different applied potentials, which reduces its accuracy as the potential changes from the potential of zero charge. Our results further demonstrate that the grand free energies of the reaction intermediates not only depend on the value of the applied potential but also on the metal surface type, adsorption site, and adsorbate. GC-DFT’s ability to predict the effect of the applied potential on adsorbate geometry enables it to evaluate different possible reaction mechanisms at different applied potentials. For instance, GC-DFT predicts that the first step of CO2R likely switches from proton-coupled electron transfer to sequential electron transfer and then proton transfer at more reducing potentials, a result that cannot be determined by the CHE because it assumes that all electron transfers are coupled to proton transfers and neglects the effect of the applied potential on the adsorbate geometry.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Theoretical Nuclear Physics (Final Report)
This award from the Department of Energy supported the PI, Che-Ming Ko of Texas A&M University, for the period from April 1, 2022 to August 31, 2025 at an amount of $150,000 to carry out the project entitled “Theoretical nuclear physics”. The scientific goal of the project was to develop transport models for heavy ion collisions at various energies and with both stable and rare isotopes and to carry out systematic comparisons of theoretical predictions with experimental data. Results from this project has led to the publication of 14 papers in and the submission of 10 papers to peer-reviewed journals, the publication of 3 papers in and the submission of 1 paper to conference proceedings. Also, the PI has presented 12 invited talks at international conferences and workshops. In the following, a brief summary of these results is given.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Electrochemical CO2 Reduction over Metal-/Nitrogen-Doped Graphene Single-Atom Catalysts Modeled Using the Grand-Canonical Density Functional Theory
Renewably driven, electrochemical conversion of carbon dioxide into value-added products is expected to be a critical tool in global decarbonization. However, theoretical studies based on the computational hydrogen electrode largely ignore the nonlinear effects of the applied potential on the calculated results, leading to inaccurate predictions of catalytic behavior or mechanistic pathways. Here, we use grand canonical density functional theory (GC-DFT) to model electrochemical CO2 reduction (CO2R) over metal- and nitrogen-doped graphene catalysts (MNCs) and explicitly include the effects of the applied potential. We used GC-DFT to compute the CO2 to CO reaction intermediate energies at -0.3, -0.7, and -1.2 VSHE catalyzed by MNCs each doped with 1 of the 10 3d block metals coordinated by four pyridinic nitrogen atoms. Our results predict that Sc-, Ti-, Co-, Cu-, and Zn-N4Cs effectively catalyze CO2R at moderate to large reducing potentials (-0.7 to -1.2 VSHE). ZnN4C is a particularly promising electrocatalyst for CO2R to CO both at low and moderate applied potentials based on our thermodynamic analysis. Our findings also explain the observed pH independence of CO production over FeN4C and predict that the rate-determining step of CO2R over FeN4C is not *CO2- formation but rather *CO desorption. Additionally, the GC-DFT-computed density of states analysis illustrates how the electronic states of MNCs and adsorbates change non-uniformly with applied potential, resulting in a significantly increased *CO2- stability relative to other intermediates and demonstrating that the formation of the adsorbed *CO2- anion is critical to CO2R activation. This work demonstrates how GC-DFT paves the way for physically realistic and accurate theoretical simulations of reacting electrochemical systems.
CO2 reduction↗
Shock-induced chemical decomposition and overdriven detonation in hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) single crystals
Understanding the differences in the shock compression and detonation response of insensitive high explosives (IHEs) and conventional HEs (CHEs) is a long-standing need in HE science and technology. Having previously examined 1,1-diamino-2,2-dinitroethene (FOX-7) IHE single crystals, the shock and detonation response of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)—a widely used CHE—was determined using wave profile measurements in ~250 μm thick single crystals shock compressed to 63 GPa. In marked contrast to FOX-7, RDX single crystals shocked along the [100] and [111] orientations showed wave profile features consistent with chemical decomposition onset at 15 GPa. These features were more pronounced for [100] RDX, suggesting a higher decomposition rate compared to [111] RDX. At 51 GPa and above, flat-topped single waves were observed for both orientations, showing the classic Chapman–Jouget (C–J) detonation response in which the decomposition is completed within the detonation front. The Hugoniot states and sound speeds determined for the detonation products were similar for both [100] and [111] orientations, showing that the overdriven detonation response for RDX does not depend on crystal orientation. The C–J pressure for RDX single crystals (35 GPa)—determined experimentally—is comparable to that of FOX-7. However, compared to FOX-7, chemical decomposition onset for RDX occurs at much lower pressures and the overdriven C–J detonation response occurs at higher pressures. Lastly, the present findings constitute the first experimental comparison of the shock and detonation response of conventional and insensitive HE single crystals over a broad pressure range below and above the C–J pressure.
36 MATERIALS SCIENCE↗
Large-scale Hydrogen Storage – Risk Assessment Seattle City Light and Port of Seattle [Abstract]
This CRADA presents the strategy that Pacific Northwest National Laboratory (PNNL) and Sandia National Laboratories (SNL) will take to support Seattle City Light (SCL), and the Port of Seattle (Port) in performing a risk assessment of large-scale hydrogen storage. Risk assessment is often used to ensure that adequate measures are taken to protect workers and the public, the environment, infrastructure, and assets. A detailed risk assessment can also be used to direct funding and upgrades, to specific components and sub-systems in order to mitigate risks to the larger system. In this way risk assessments are often employed as a part of a larger risk management strategy, with the goal of minimizing the occurrence of hazards and to identify means to limit their consequences. Risk assessment is often used to engage and inform regulators, and to communicate how specific regulations are being met. However, it is important to note that the proposed work is not intended for SCL and the Port to use in order to gain regulatory acceptance for their proposed activities. The work performed as a part of this effort will be a preliminary risk assessment for early-stage component and system designs and should be considered research and development (R&D). As such, the proposed work will be performed to a quality level and design maturity consistent with R&D and is not considered appropriate for final safety analysis and regulatory compliance purposes. Previous and on-going work at SCL and the Port demonstrated the utility of deploying hydrogen systems at the Port. The deployment of hydrogen at the Port is a part of a larger vision of using hydrogen to address a range of issues for SCL and the Port. These include large-scale fueling of MD/HD vehicles, cargo-handling equipment (CHE), and harbor vessels to reduce emissions; support of adjacent LD vehicles; support of critical port operations during extreme events (i.e., resiliency); deferral of more capital- and time-intensive electrical distribution system upgrades while still supporting evolving port operations and decarbonization efforts; facilitating electrification by establishing energy storage as a grid resource, starting at strategic port locations; creation of a flexible market resource that can be used by SCL to generate revenue via arbitrage; support of planned future maritime operations that involve heavy use of hydrogen for ocean-going vessels; and future end-use applications involving natural gas pipeline hydrogen injection. Ultimately, the success of these activities is underpinned by the deployed storage capacity. Large-scale deployment of hydrogen systems will require hydrogen storage at a scale that has not been demonstrated. In addition, the ideal location for such multi-use systems is near the end user which will often necessitate deploying into urban and/or industrial areas. A detailed risk assessment using the Port as a test case is necessary to ensure the deployment of large-scale hydrogen is successful. Many technologies have been proposed for hydrogen storage; however, these technologies need to be analyzed as they apply to an actual site. The physical infrastructure and hydrogen use cases for the Port will be analyzed, and a risk assessment for compressed hydrogen, liquified hydrogen, and Liquid Organic Hydrogen Carrier (LOHC) storage will be performed. These risk assessments will be useful for understanding how each of these technologies would perform in terms of facility and public safety. The operating states of the proposed hydrogen systems at the Port will be analyzed and incorporated into the storage risk assessment. Scalability will also be analyzed to understand how future port uses would affect the overall risk assessment. Finally, using the risk assessment as a tool to inform engagement and to gain stakeholder acceptance will be explored.
08 HYDROGEN↗
Improved measurement of the branching fraction of hc → γη′/η and search for hc → γπ0
Abstract The processesh c → γP(P=η′, η, π 0 ) are studied with a sample of (27.12±0.14)×10 8 ψ(3686) events collected by the BESIII detector at the BEPCII collider. The decayh c → γηis observed for the first time with the significance of 9.0σ, and the branching fraction is determined to be (3.77±0.55±0.13±0.26)×10 −4 , while$$ \mathcal{B} $$ B (h c → γη′) is measured to be (1.40±0.11±0.04±0.10)×10 −3 , where the first uncertainties are statistical, the second systematic, and the third from the branching fraction ofψ(3686)→ π 0 h c . The combination of these results allows for a precise determination of$$ {R}_{h_c}=\frac{\mathcal{B}\left({h}_c\to {\pi}^0\gamma \eta \right)}{\mathcal{B}\left({h}_c\to {\pi}^0\gamma {\eta}^{\prime}\right)}, $$ R h c = B h c → γη B h c → γ η ′ , which is calculated to be (27.0±4.4±1.0)%. The results are valuable for gaining a deeper understanding ofη − η′ mixing, and its manifestation within quantum chromodynamics. No significant signal is found for the decayh c →γπ 0 , and an upper limit is placed on its branching fraction of$$ \mathcal{B} $$ B (h c →γπ 0 )<5.0×10 −5 , at the 90% confidence level.
Physics↗
Amplitude analysis of ψ3686→γKS0KS0
Using (2712 ± 14) × 106ψ(3686) events collected with the BESIII detector, we perform the first amplitude analysis of the radiative decay ψ3686→γKS0KS0$$ \psi (3686)\to \gamma {K}_S^0{K}_S^0 $$ within the mass region MKS0KS0<2.8$$ {M}_{K_S^0{K}_S^0}<2.8 $$ GeV/c2. Employing a one-channel K-matrix approach for the description of the dynamics of the KS0KS0$$ {K}_S^0{K}_S^0 $$ system, the data sample is well described with four poles for the f0-wave and three poles for the f2-wave. The determined pole positions are consistent with those of well-established resonance states. The observed f0 and f2 states are found to be in agreement with those produced in radiative J/ψ decays. The production behaviors of f0 and f2 poles in ψ3686→γKS0KS0$$ \psi (3686)\to \gamma {K}_S^0{K}_S^0 $$ are qualified with their residues and the converted branching fractions. By comparing with J/ψ→γKS0KS0$$ J/\psi \to \gamma {K}_S^0{K}_S^0 $$ decay, the ratios Bψ3686→γf0,2BJ/ψ→γf0,2$$ \frac{\mathcal{B}\left(\psi (3686)\to \gamma {f}_{0,2}\right)}{\mathcal{B}\left(J/\psi \to \gamma {f}_{0,2}\right)} $$ are determined, which provides crucial experimental inputs on the internal structure of the f0,2 states, especially their potential mixing with glueball components.
Ablikim, M↗
Measurement of the phase between strong and electromagnetic amplitudes in the decay J/ψ → ϕη
The first direct measurement of the relative phase between the strong and electromagnetic amplitudes for a J/ψ decaying into a vector-pseudoscalar final state is performed using 26 energy points of e + e − annihilation data between 3.00 GeV and 3.12 GeV. The data sets were collected by the BESIII detector with a total integrated luminosity of 452 pb −1 . By investigating the interference pattern in the cross section lineshape of e + e − → ϕη, the relative phase between the strong and electromagnetic amplitudes of J/ψ decay is determined to be within [133°, 228°] at 68% confidence level.
QCD↗
Multiblock Copolymer Anion-Exchange Membranes Derived from Vinyl Addition Polynorbornenes
Not Available
Selhorst, Ryan↗
Evolutionary analysis of the LORELEI gene family in plants reveals regulatory subfunctionalization
Abstract A signaling complex comprising members of the LORELEI (LRE)-LIKE GPI-anchored protein (LLG) and Catharanthus roseus RECEPTOR-LIKE KINASE 1-LIKE (CrRLK1L) families perceive RAPID ALKALINIZATION FACTOR (RALF) peptides and regulate growth, reproduction, immunity, and stress responses in Arabidopsis (Arabidopsis thaliana). Genes encoding these proteins are members of multigene families in most angiosperms and could generate thousands of signaling complex variants. However, the links between expansion of these gene families and the functional diversification of this critical signaling complex as well as the evolutionary factors underlying the maintenance of gene duplicates remain unknown. Here, we investigated LLG gene family evolution by sampling land plant genomes and explored the function and expression of angiosperm LLGs. We found that LLG diversity within major land plant lineages is primarily due to lineage-specific duplication events, and that these duplications occurred both early in the history of these lineages and more recently. Our complementation and expression analyses showed that expression divergence (i.e. regulatory subfunctionalization), rather than functional divergence, explains the retention of LLG paralogs. Interestingly, all but one monocot and all eudicot species examined had an LLG copy with preferential expression in male reproductive tissues, while the other duplicate copies showed highest levels of expression in female or vegetative tissues. The single LLG copy in Amborella trichopoda is expressed vastly higher in male compared to in female reproductive or vegetative tissues. We propose that expression divergence plays an important role in retention of LLG duplicates in angiosperms.
Plant Sciences↗
Search for the isospin-violating decays 𝜒 𝑐𝐽 → $Λ\bar{Σ}^0$ + c.c. and 𝜂 𝑐 → $Λ\bar{Σ}^0$ + c.c.
Using a sample of (2712.4 ± 14.3) × 10 6 𝜓(3686) events collected with the BESIII detector, we perform a search for the isospin-violating decays 𝜒 𝑐𝐽 → $Λ\bar{Σ}^0$ + c.c.(𝐽 = 0,1,2) and 𝜂 𝑐 → $Λ\bar{Σ}^0$ + c.c. No significant signal for 𝜒 𝑐𝐽 or 𝜂 𝑐 is observed in the $Λ\bar{Σ}^0$ invariant mass distribution. The upper limits on the branching fractions at the 90% confidence level are set to be ℬ(𝜒 𝑐0 → $Λ\bar{Σ}^0$ + c.c.) < 1.5 × 10 −6 , ℬ(𝜒 𝑐1 → $Λ\bar{Σ}^0$ + c.c.) < 1.6 × 10 −6 , ℬ(𝜒 𝑐2 → $Λ\bar{Σ}^0$ + c.c.) < 1.7 × 10 −6 , and ℬ(𝜂 𝑐 → $Λ\bar{Σ}^0$ + c.c.) < 6.2 × 10 −5 for the first time.
Ablikim, M. [Institute of High Energy Physics] (OR↗
Updated measurement of the branching fraction of D s + → τ + ν τ via τ + → π + ν ¯ τ
Not Available
Ablikim, M.↗
Model-independent determination of the strong-phase difference between D 0 and D ¯ 0 → π + π − π + π − decays
Measurements of the strong-phase difference between D 0 and D ¯ 0 → π + π − π + π − are performed in bins of phase space. The study exploits a sample of quantum-correlated D D ¯ mesons collected by the BESIII experiment in e + e − collisions at a center-of-mass energy of 3.773 GeV, corresponding to an integrated luminosity of 2.93 fb − 1 . Here, D denotes a neutral charm meson in a superposition of flavor eigenstates. The reported results are valuable for measurements of the C P -violating phase γ (also denoted ϕ 3 ) in B ± → D K ± , D → π + π − π + π − decays, and the binning schemes are designed to provide good statistical sensitivity to this parameter. The expected uncertainty on γ arising from the precision of the strong-phase measurements, when applied to very large samples of B -meson decays, is around 1.5° or 2°, depending on the binning scheme. The binned strong-phase parameters are combined to give a value of F + 4 π = 0.746 ± 0.010 ± 0.004 for the C P -even fraction of D 0 → π + π − π + π − decays, which is around 30% more precise than the previous best measurement of this quantity. Published by the American Physical Society 2024
Ablikim, M.↗
Observation of χ c J → p p ¯ K S 0 K − π + + c . c .
By analyzing ( 27.12 ± 0.14 ) × 10 8 ψ ( 3686 ) events collected with the BESIII detector operating at the BEPCII collider, the decays χ c J → p p ¯ K S 0 K − π + + c . c . ( J = 0 , 1 , 2 ) are observed for the first time with statistical significances greater than 10 σ . The branching fractions of these decays are determined to be B ( χ c 0 → p p ¯ K S 0 K − π + + c . c . ) = ( 2.61 ± 0.27 ± 0.32 ) × 10 − 5 , B ( χ c 1 → p p ¯ K S 0 K − π + + c . c . ) = ( 4.16 ± 0.24 ± 0.46 ) × 10 − 5 , and B ( χ c 2 → p p ¯ K S 0 K − π + + c . c . ) = ( 5.63 ± 0.28 ± 0.46 ) × 10 − 5 , respectively. The processes χ c 1 , 2 → p ¯ Λ ( 1520 ) K S 0 π + + c . c . are also observed, with statistical significances of 5.7 σ and 7.0 σ , respectively. Evidence for χ c 0 → p ¯ Λ ( 1520 ) K S 0 π + + c . c . is found with statistical significances of 3.3 σ . The corresponding branching fractions are determined to be B ( χ c 0 → p ¯ Λ ( 1520 ) K S 0 π + + c . c . ) = ( 1.6 1 − 0.64 + 0.68 ± 0.23 ) × 10 − 5 , B ( χ c 1 → p ¯ Λ ( 1520 ) K S 0 π + + c . c . ) = ( 4.06 − 0.76 + 0.80 ± 0.52 ) × 10 − 5 , and B ( χ c 2 → p ¯ Λ ( 1520 ) K S 0 π + + c . c . ) = ( 4.0 9 − 0.84 + 0.87 ± 0.42 ) × 10 − 5 . Here, the first uncertainties are statistical and the second ones are systematic. Published by the American Physical Society 2024
Ablikim, M.↗