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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Realizing High Capacity and Zero Strain in Layered Oxide Cathodes via Lithium Dual-Site Substitution for Sodium-Ion Batteries

Sodium-ion batteries have garnered unprecedented attention as an electrochemical energy storage technology, but it remains challenging to design high-energy-density cathode materials with low structural strain during the dynamic (de)sodiation processes. In this paper, we report a P2-layered lithium dual-site-substituted Na 0.7 Li 0.03 [Mg 0.15 Li 0.07 Mn 0.75 ]O 2 (NMLMO) cathode material, in which Li ions occupy both transition-metal (TM) and alkali-metal (AM) sites. The combination of theoretical calculations and experimental characterizations reveals that Li TM creates Na–O–Li electronic configurations to boost the capacity derived from the oxygen anionic redox, while Li AM serves as LiO 6 prismatic pillars to stabilize the layered structure through suppressing the detrimental phase transitions. As a result, NMLMO delivers a high specific capacity of 266 mAh g –1 and simultaneously exhibits the nearly zero-strain characteristic within a wide voltage range of 1.5–4.6 V. Our findings highlight the effective way of dual-site substitution to break the capacity–stability trade-off in cathode materials for advanced rechargeable batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Modeling High Current Pulsed Discharge in AA Battery Cathodes: The Effect of Localized Charging during Rest

During high current operation, substantial heterogeneity develops within battery cathodes, particularly when their thickness is large. Heterogeneity relaxation during subsequent rest is important for understanding battery performance under pulsed conditions. Localized charge balancing phenomena within batteries at zero net current are not well understood and merit investigation. In this work, the heterogeneity within cathodes of commercial alkaline Zn–MnO 2 batteries is measured during discharge and monitored during rest using energy dispersive X-ray diffraction (EDXRD). Significant gradients in protonation form during discharge and partially relax under rest. It is demonstrated that the proton gradient relaxation is through local redox activity at zero net current, where local (de)protonation works to redistribute charge across the cathode thickness. To support this redox-based relaxation, a fundamental kinetic study on prismatic MnO 2 cathodes is conducted to determine an appropriate model to describe both discharge and charge kinetics of MnO 2 . These kinetics are incorporated into a computational model to simulate the proton gradient formation and partial relaxation under identical discharge conditions as the operando EDXRD experiments. Model and experimental data are found to be in excellent agreement, correctly predicting localized charge balancing at rest.

Batteries↗
DOE OSTI2026

Jordan–Wigner Transformation for the Description of Strong Correlation in Fermionic Systems

Seniority is a useful way of organizing Hilbert space for strongly correlated systems. The exact zero-seniority wave function, doubly occupied configuration interaction (DOCI), provides accurate results (given the right orbitals) for many strongly correlated electronic systems but has a combinatorial computational cost. In many cases, pair coupled cluster doubles provide a polynomial-cost approximation that closely reproduces the energies of DOCI, but it breaks down in some cases and, as shown herein, it does not provide particularly good density matrices. In this article, we demonstrate that by using the Jordan–Wigner transformation to turn the seniority zero problem back into a Fermionic one, we can provide mean-field variational results of DOCI quality for the Hubbard model and a few small molecular dissociation examples, with polynomial cost, both for the energies and for density matrices, all while being protected from collapse. This success is rooted in the proof we provide, showing that the Hartree–Fock wave function on the Jordan–Wigner-transformed Hamiltonian transforms back to variational coupled cluster doubles in the seniority zero representation, but restricted to have determinant rather than permanent amplitude coefficients, without compromising its overall accuracy.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Assessing the cost-effectiveness of carbon neutrality for light-duty vehicle sector in China

China’s progress in decarbonizing its transportation, particularly vehicle electrification, is notable. However, the economically effective pathways are underexplored. To find out how much cost is necessary for carbon neutrality for the light-duty vehicle (LDV) sector, this study examines twenty decarbonization pathways, combining the New Energy and Oil Consumption Credit model and the China-Fleet model. We find that the 2060 zero-greenhouse gas (GHG) emission goal for LDVs is achievable via electrification if the battery pack cost is under CNY483/kWh by 2050. However, an extra of CNY8.86 trillion internal subsidies is needed under pessimistic battery cost scenarios (CNY759/kWh in 2050) to eliminate 246 million tonnes of CO 2 -eq by 2050 ensuring over 80% market penetration of battery electric vehicles (BEVs) in 2050. Moreover, the promotion of fuel cell electric vehicles is synergy with BEVs to mitigate the carbon abatement difficulties, decreasing up to 34% of the maximum marginal abatement internal investment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Midwest ZEVI 2030 Charging Roadmap for I-80 Corridor

Zero-emission Medium Duty and Heavy Duty vehicles (MD-HD ZEVs) hold great promise for reducing operational costs through use of more energy eAicient propulsion technology while reducing reliance on fossil fuels. Consistent with the Department of Energy’s focus on energy innovation, ZEVs and the necessary charging and refueling infrastructure to support them represent an important area of focus for technological advancement. Widespread adoption of MD-HD ZEVs can also provide benefits by improving air quality, and lowering carbon emissions in the transportation industry. Powertrain technologies are in production today to reduce tank-to-wheel and well-to-wheel emissions of commercial vehicles to zero or near-zero emissions, but significant development remains to bring down the cost and address the operational limitations of these technologies, particularly for larger vehicles. ZEV technologies have an opportunity to be an important part of a fleet’s mix of powertrains as capital and operational costs come down. However, the greatest challenge preventing widespread adoption of ZEVs may be the lack of adequate charging and hydrogen (H₂) fueling infrastructure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Hydrogen and its Vital Role in a Clean Energy Future

Large-scale, low -cost hydrogen production can enable an economically competitive, secure, and environmentally beneficial future energy system across multiple sectors. Furthermore, clean hydrogen can address specific sectors that are hard to decarbonize (e.g., heavy-duty trucking, load-following electricity, iron, steel, and cement) and can help the U.S. meet the net zero carbon goal by 2050. To achieve this goal, tens of millions of metric tons of clean, reliable, and affordable hydrogen will be needed annually1. In 2021, the Hydrogen Energy Earthshot was launched, and its goal is to reduce the cost of clean hydrogen to $1 per $1 kilogram in 1 decade (1 1 1) 2. One very promising pathway for large-scale hydrogen production is water splitting. Water splitting technologies range from commercial technologies such as electrolyzers to approaches that are at a much earlier stage of development, such as photoelectrochemical (PEC) and thermochemical (TCH) processes. All these water splitting pathways offer diverse benefits in energy storage, grid services, and cross-sector emissions reductions while taking advantage of the diverse domestic resources. However, critical materials-, component- and system-level challenges must be addressed to improve efficiency and durability and reduce cost. To address these barriers and move these promising and high impact technologies forward, the HydroGEN Advanced Water Splitting Materials (AWSM) and the H2 from the Next-generation of Electrolyzers of Water (H2NEW) consortia were formed and supported by the Department of Energy (DOE) EERE Hydrogen and Fuel Cell Technologies Office (HFTO). HydroGEN (https://www.energy.gov/eere/h2awsm/) consortium, established in 2016, is an Energy Materials Network (EMN) that aims to accelerate the materials R&D of low technology readiness level (TRL) advanced water splitting (AWS) technologies. The consortium comprises five core national laboratories and focuses on four early-stage AWS pathways: alkaline exchange membrane (AEM) electrolysis, proton conducting solid oxide electrolysis (p-SOEC), photoelectrochemical, and thermochemical water splitting. Liquid alkaline and PEM electrolyzers are already commercial and significant advancements in oxygen conducting solid oxide electrolysis cells (o-SOECs) have been realized. Yet, these systems are still too expensive and not sufficiently durable for wide-scale commercialization. To enable high-volume manufacturing of affordable, durable, efficient electrolyzers, H2NEW (https://h2new.energy.gov/), another multi-lab consortium, was established in 2020. This comprehensive, concerted effort is focused on overcoming barriers related to components and materials integration and scale-up to achieve performance, durability, with an initial focus to achieve $2/kg H2 by 2026.

AEM↗
DOE OSTI2022

Duke Energy Carbon-Free Resource Integration Study

Duke Energy has partnered with the National Renewable Energy Laboratory (NREL) to evaluate pathways to achieving their carbon-free targets and to assess the operational impacts of the resulting system. This report details findings from Phase II of the Duke Low Carbon Resource Integration study, which consisted of three separate but interrelated analyses: (1) a resource assessment exploring the technical and economic potential and characteristics of wind and solar resources in the Carolinas; (2) capacity expansion modeling identifying the least-cost investment pathways for achieving 70% CO 2 emissions reductions in North Carolina by 2030 and a net-zero electricity system by 2050; and (3) detailed production cost modeling of power system operations at the higher shares of low- and zero-carbon emitting generation sources, informed by the capacity expansion modeling portion of the analysis. The analysis finds that Duke Energy can approach the 2030 and 2050 emissions target in North Carolina through investment in a combination of solar, wind, and storage along with maintaining its existing nuclear fleet. The average cost of CO 2 abatement in the Carolinas through 2021-2050 is on the order of $\$27-33$ per metric ton (range of $\$9-34$ per metric ton across key sensitivities).Duke Energy can expected increased interchange with neighbors to help balance higher levels of solar, although the ability to do this will depend on whether neighboring regions also move to integrate more carbon-free resources. As Duke Energy moves toward both the 2030 and 2050 targets, addressing energy needs during the winter peak period becomes particularly important, and the system relies on the availability of resources such as renewable or hydrogen combustion turbines, seasonal storage, or other similar technologies that are dispatchable but able to operate at low capacity factors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Price formation in zero-carbon electricity markets - fundamentals, challenges, and research needs

Future power systems dominated by zero-carbon generation resources may require significant revisions to electricity market designs to ensure capacity adequacy and market efficiency. Here, in this paper, we first conceptually outline key fundamentals underlying electricity market design and price formation in U.S. electricity markets. We then discuss a set of potential market design challenges related to price formation in a grid dominated by zero-carbon resources with marginal cost profiles that differ compared to traditional thermal resources. Next, we review electricity market design solutions that have been proposed in the literature to ensure market efficiency in zero-carbon systems, and the associated implications for price formation. We conclude by summarizing key observations and establishing a set of research questions that should be addressed to improve our understanding of market design, price formation, and market efficiency in zero-carbon power systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Demonstration of resonant tunneling effects in metal-double-insulator-metal (MI2M) diodes

Abstract Although the effect of resonant tunneling in metal-double-insulator-metal (MI 2 M) diodes has been predicted for over two decades, no experimental demonstrations have been reported at the low voltages needed for energy harvesting rectenna applications. Using quantum-well engineering, we demonstrate the effects of resonant tunneling in a Ni/NiO/Al 2 O 3 /Cr/Au MI 2 M structures and achieve the usually mutually exclusive desired characteristics of low resistance ( $${R}_{0}^{DC} \sim$$ R 0 D C ~ 13 kΩ for 0.035 μm 2 ) and high responsivity ( β 0 = 0.5 A W −1 ) simultaneously. By varying the thickness of insulators to modify the depth and width of the MI 2 M quantum well, we show that resonant quasi-bound states can be reached at near zero-bias, where diodes self-bias when driven by antennas illuminated at 30 THz. We present an improvement in energy conversion efficiency by more than a factor of 100 over the current state-of-the-art, offering the possibility of engineering efficient energy harvesting rectennas.

42 ENGINEERING↗
DOE OSTI2024

SAE Government-Industry - Heavy-Duty Policy: Panel Discussion (G203)

Medium- and heavy-duty vehicles are 21% of US transportation greenhouse gas (GHG) emissions and a major source of air pollution. In this talk to present some results exploring how the total cost of driving (TCD) of zero-emission vehicles (ZEVs), including battery electric vehicles and hydrogen fuel cell electric vehicles (EVs and FCEVs), could evolve under alternative scenarios. Results show that with continued improvements in vehicles and fuels, ZEVs can rapidly become viable, potentially reaching TCD parity or better compared to diesel vehicles by 2035 for all market segments. For heavy long-haul trucks, EVs become competitive on a TCD basis at charging costs below $0.18/kWh, while FCEVs become competitive on a TCD basis at hydrogen costs below $5/kg. A full transition to ZEV sales by 2035 results in 65% emissions reductions by 2050 compared to 2019 without supportive policies. Incentives such as the Inflation Reduction Act vehicle purchase credits further accelerate ZEV TCD competitiveness with major adoption opportunities over the next five years.

ADVANCED PROPULSION SYSTEMS,DIRECT ENERGY CONVERSI↗
DOE OSTI2020

Far From Equilibrium Hydrodynamics and the Beam Energy Scan

The existence of hydrodynamic attractors in rapidly expanding relativistic systems has shed light on the success of relativistic hydrodynamics in describing heavy-ion collisions at zero chemical potential. As the search for the QCD critical point continues, it is important to investigate how out of equilibrium effects influence the trajectories on the QCD phase diagram. In this proceedings, we study a Bjorken expanding hydrodynamic system based on DMNR equations of motion with initial out of equilibrium effects and finite chemical potential in a system with a critical point. We find that the initial conditions are not unique for a specific freeze-out point, but rather the system can evolve to the same final state freeze-out point with a wide range of initial baryon chemical potential, µ B . For the same initial energy density and baryon density, depending on how far out of equilibrium the system begins, the initial µ B can vary by Δµ B ~ 350 MeV. Furthermore, our results indicate that knowledge of the out-of-equilibrium effects in the initial state provide vital information that influences the search for the QCD critical point.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Cyber-Physical Simulation of an Innovative Solid Oxide Electrolysis Cell - Gas Turbine (SOEC-GT) Hybrid Energy System

To produce green hydrogen at scale and at low cost, the solid oxide electrolysis cell (SOEC) systems would be tied to renewable power sources (mainly solar and wind), leveraging zero-carbon electricity at low prices and even nearly free during overgeneration scenarios. However, due to the intermittency of renewable power generation, the SOEC system is subjected to rapid load transitions that occur not only in diurnal cycles but also in short timeframes (e.g., sub-minute). This can result in fast degradation and thus greatly reduce the SOEC’s lifetime. Our team at the National Energy Technology Laboratory has demonstrated that the anode air flow can have a crucial role in SOEC thermal management. Typically, a higher air flow rate can help to mitigate the local temperature gradient distortion during rapid load transitions. To move a large amount of air, the gas turbine (GT; i.e., compressor-turbine-generator set) has been regarded as the most mature and efficient technology. In this presentation, we show the configuration and preliminary results of an innovative SOEC-GT hybrid energy system in a cyber-physical simulation (CPS) approach.

Zhang, Biao↗
DOE OSTI2024

Provincial-scale assessment of direct air capture to meet China’s climate neutrality goal under limited bioenergy supply

China has large, estimated potential for direct air carbon capture and storage (DACCS) but its deployment locations and impacts at the subnational scale remain unclear. This is largely because higher spatial resolution studies on carbon dioxide removal (CDR) in China have focused mainly on bioenergy with carbon capture and storage. This study uses a spatially detailed integrated energy-economy-climate model to evaluate DACCS for 31 provinces in China as the country pursues its goal of climate neutrality by 2060. We find that DACCS could expand China’s negative emissions capacity, particularly under sustainability-minded limits on bioenergy supply that are informed by bottom-up studies. But providing low-carbon electricity for multiple GtCO 2 yr -1 DACCS may require over 600 GW of additional wind and solar capacity nationwide and comprise up to 30% of electricity demand in China’s northern provinces. Investment requirements for DACCS range from 330 to 530 billion dollars by 2060 but could be repaid manyfold in the form of avoided mitigation costs, which DACCS deployment could reduce by up to $6 trillion over the same period. Enhanced efforts to lower residual CO 2 emissions that must be offset with CDR under a net-zero paradigm reduce but do not eliminate the use of DACCS for mitigation. For decision-makers and the energy-economy models guiding them, our results highlight the value of expanding beyond the current reliance on biomass for negative emissions in China.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Cost-Benefit Analysis For Indonesia Building Sector: Whole-Building Cooling Solutions

The Net Zero World (NZW) Initiative Collaborative Work Program with the Government of Indonesia (GoI) includes technical assistance and investment mobilization facilitation to accelerate deployment of energy efficiency technologies and solutions for the building sector. A February 2023 U.S.–Indonesia Joint Workshop on Decarbonizing the Building Sector yielded a NZW Indonesia Building Decarbonization Working Group (NZW IBDWG) with four sub-working groups (SWG): SWG-A National Center, SWG-B Capacity Building, SWG-C Investment and Financing, and SWG-D Pilot Projects. Technical analysis of whole-building cooling solutions for tropical climates of Indonesia was conducted by SWG-A to quantify energy savings, carbon dioxide reductions, and comfort improvements offered by 12 passive or low-energy cooling strategies: ceiling fans with and without thermostat setbacks; cool roofs; cool walls; exterior awnings; exterior shades; interior shades; insulated roofs; insulated walls; low-e windows; solar window films; and natural ventilation. Leveraging the results from SWG-A, cost-benefit analysis (CBA) was conducted by SWG-C to assess the consumer and national costs and impacts associated with these 12 cooling solutions. The evaluation involved estimating life-cycle costs (LCC), payback period (PBP), net present values (NPV), annual electricity burden change for low-income households, and reduced national annual power-sector generation demand by 2030, 2040, 2050, and 2060. This evaluation can help guide Indonesia’s Just Energy Transition Partnership (JETP) investments in policies and programs to advance research, development, deployment, and commercial adoption (RDDCA) of efficient residential building sector cooling technologies and solutions in Indonesia. Four key energy conservation measures (ECM) have been identified to reduce air-conditioning (AC) energy demand in single-family housing in Indonesia: ceiling fan with temperature setback (to 28.1 °Celcius from 25 °C); insulated walls; insulated roof; and cool roof. This study found that low-income households with AC installations in Indonesia currently face a high energy cost burden of approximately 10%. However, by implementing a ceiling fan with temperature setback, this burden could decrease to 2.5% today and further reduce to 1.3% by the year 2060. The PBP for a ceiling fan with temperature setback is one year, indicating one of the lowest LCC and best NPV. In the planned upcoming phase of CBA, a series of building cooling improvement scenarios can be further defined, incorporating more than one ECM in combination with socio-economic factors evaluated in the initial CBA phase. Additionally, the analysis of ECM effects in multifamily housing can be expanded. This broader national analysis aims to encompass a holistic and comprehensive system-level perspective, including factors such as avoided power sector infrastructure investments, domestic job creation, domestic manufacturing job creation, and gross domestic product (GDP) growth.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

System Integration of Rationally Designed Dilute Alloy Catalysts for Energy-Efficient Electrochemical CO 2 -To-Fuel Conversion

Energy effiecient electrochemical conversion of CO 2 to high-demand chemicals and transportation fuels using renewable solar and wind energy is a key technology needed for a high-productivity, low-carbon future. However, the development of scalable, low-cost, active, selective, and stable electrocatalysts remains a key challenge that needs to be overcome to enable high-volume conversion of CO 2 to feedstock chemicals for the chemical industry. In previous work, Lawrence Livermore National Laboratory (LLNL) has developed a rational design platform for dilute alloy transition metal electrocatalysts that promise to make electrochemical CO 2 conversion more energy efficient and selective. In this project, we worked with our industrial partners, Twelve and TotalEnergies, to improve scale up, integration, and stability of LLNL’s dilute alloy catalyst technology into an industry-relevant zero gap electrolyzer platform. Through virtual experiments and data analysis, we designed efficient and cost-effective copper-based catalysts. The catalyst was specifically designed to streamline the slowest and most energy-intensive step of the electrochemical chemical transformation of CO 2 to multi-carbon products – that is making the carbon-carbon bond by dimerization of the reaction intermediate carbon monoxide - resulting in up to 10% improvement in energy efficiency for C 2 products while simultaneously increasing the selectivity towards C 2 products. We tested two different scalable catalyst coating technologies and down-selected magnetron sputtering as the technique that provided the best control over catalyst loading, composition, and morphology. Using this technology, we successfully demonstrated integration of our dilute alloy catalysts into a 100 cm 2 electrolyzer platform with Faradaic efficiencies for ethylene production reaching 40% at a current density of 200 mA/cm 2 . We also developed the technology to integrate a well-defined nanoscale porosity by depositing alloy compositions that were compatible with dealloying, that is, selective leaching of an alloy component to generate nanoscale porosity. We observed that integration of the dealloying-derived nanoporosity improved catalyst performance and stability by leading to a more hydrophobic catalyst/anion exchange membrane interface. Unsolved problems that still need to be addressed are corrosion of the Cu catalyst -specifically if the used catalyst is exposed to air - as well as long term stability do to salt formation/deposition and flooding of the catalyst/electrolyzer flow channels, especially at higher current densities. As we only worked on optimization of catalyst composition, coating thickness, and morphology, further performance optimization will require a system level approach that includes optimization of electrolyzer design and membrane technology.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Coordination environment tuning of nickel sites by oxyanions to optimize methanol electro-oxidation activity

To achieve zero-carbon economy, advanced anode catalysts are desirable for hydrogen production and biomass upgrading powered by renewable energy. Ni-based non-precious electrocatalysts are considered as potential candidates because of intrinsic redox attributes, but in-depth understanding and rational design of Ni site coordination still remain challenging. Here, we perform anodic electrochemical oxidation of Ni-metalloids (NiP x , NiS x , and NiSe x ) to in-situ construct different oxyanion-coordinated amorphous nickel oxyhydroxides (NiOOH-TO x ), among which NiOOH-PO x shows optimal local coordination environment and boosts electrocatalytic activity of Ni sites towards selective oxidation of methanol to formate. Experiments and theoretical results demonstrate that NiOOH-PO x possesses improved adsorption of OH* and methanol, and favors the formation of CH 3 O* intermediates. The coordinated phosphate oxyanions effectively tailor the d band center of Ni sites and increases Ni-O covalency, promoting the catalytic activity. This study provides additional insights into modulation of active-center coordination environment via oxyanions for organic molecules transformation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Thermal Hall conductance and a relative topological invariant of gapped two-dimensional systems

We derive a Kubo-like formula for the thermal Hall conductance of a 2d lattice systems which is free from ambiguities associated with the definition of energy magnetization. We use it to define a relative topological invariant of gapped 2d lattice systems at zero temperature. Up to a numerical factor, it can be identified with the difference of chiral central charges for the corresponding edge modes. This establishes the bulk-boundary correspondence for the chiral central charge. Here, we also show that for any local commuting projector Hamiltonian, the relative chiral central charge vanishes, while for free fermionic systems, it is related to the zero-temperature electric Hall conductance via the Wiedemann-Franz law.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Finite-temperature many-body perturbation theory in the canonical ensemble

Benchmark data are presented for the zeroth- through third-order many-body perturbation corrections to the electronic Helmholtz energy, internal energy, and entropy in the canonical ensemble in a wide range of temperature. They are determined as numerical λ-derivatives of the respective quantities computed by thermal full configuration interaction with a perturbation-scaled Hamiltonian, $\hat{H} = \hat{H}_0 + λ\hat{V}$. Sum-over-states analytical formulas for up to the third-order corrections to these properties are also derived as analytical λ-derivatives. These formulas, which are verified by exact numerical agreement with the benchmark data, are given in terms of the Hirschfelder–Certain degenerate perturbation energies and should be valid for both degenerate and nondegenerate reference states at any temperature down to zero. Further, the results in the canonical ensemble are compared with the same in the grand canonical ensemble.

74 ATOMIC AND MOLECULAR PHYSICS↗