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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

A simple and fast algorithm for estimating the capacity credit of solar and storage

Energy storage is a leading option to enhance the resource adequacy contribution of solar energy. Detailed analysis of the capacity credit of solar energy and energy storage is limited in part due to the data intensive and computationally complex nature of probabilistic resource adequacy assessments. This paper presents a simple algorithm for calculating the capacity credit of energy-limited resources that, due to the low computational and data needs, is well suited to exploratory analysis. Validation against benchmarks based on probabilistic techniques shows that it can yield similar insights. The method is used to evaluate the impact of different solar and storage configurations, particularly with respect to the strategy for coupling storage and solar photovoltaic systems. Furthermore, application of the method to a case study of utilities in Florida, where solar is rapidly growing and demand peaks in the winter and summer, demonstrates that it can improve on rules of thumb used in practice by some utilities. If storage is required to charge only from solar, periods of high demand driven by cold weather events accompanied by lower solar production can result in a capacity credit of solar and storage that is less than the capacity credit of storage alone.

14 SOLAR ENERGY↗
DOE OSTI2023

Real-space observation of ergodicity transitions in artificial spin ice

Abstract Ever since its introduction by Ludwig Boltzmann, the ergodic hypothesis became a cornerstone analytical concept of equilibrium thermodynamics and complex dynamic processes. Examples of its relevance range from modeling decision-making processes in brain science to economic predictions. In condensed matter physics, ergodicity remains a concept largely investigated via theoretical and computational models. Here, we demonstrate the direct real-space observation of ergodicity transitions in a vertex-frustrated artificial spin ice. Using synchrotron-based photoemission electron microscopy we record thermally-driven moment fluctuations as a function of temperature, allowing us to directly observe transitions between ergodicity-breaking dynamics to system freezing, standing in contrast to simple trends observed for the temperature-dependent vertex populations, all while the entropy features arise as a function of temperature. These results highlight how a geometrically frustrated system, with thermodynamics strictly adhering to local ice-rule constraints, runs back-and-forth through periods of ergodicity-breaking dynamics. Ergodicity breaking and the emergence of memory is important for emergent computation, particularly in physical reservoir computing. Our work serves as further evidence of how fundamental laws of thermodynamics can be experimentally explored via real-space imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Commercial Building Prototypes Based on ANSI/ASHRAE/IES Standard 90.1-2019 Appendix G PRM: Technical Support Document

The two paths for documenting compliance with ANSI/ASHRAE/IES Standard 90.1 are the prescriptive path and the performance path. Beyond code programs and rating systems (for example, USGBC-LEED ) are primarily known to use a third path – the Appendix G Performance Rating Method. An update in the 2016 edition of Standard 90.1 approved the Appendix G Performance Rating System for code compliance, extending its application and allowing for greater consistency of modeling rules for code and beyond code building energy modeling. The Appendix G PRM provides rules for the development of whole building energy models of baseline and proposed models for calculating the “performance cost index target” value using the simulated energy results of the baseline and proposed models and the building performance factors published in Table 4.2.1.1 of the Standard. This report documents (1) the methodology used for development of the baseline and proposed energy models of the Pacific Northwest National Laboratory and U.S. Department of Energy commercial building prototypes using the Appendix G Performance Rating Method; and (2) the building performance factors that were calculated using those models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

U.S. Department of Energy Collegiate Wind Competition 2025 Rules - Phase 1

The U.S. Department of Energy (DOE) Wind Energy Technologies Office's (WETO) Collegiate Wind Competition (CWC, also referred to as the "Competition" in this rules document) invites interdisciplinary teams of undergraduate students from a variety of academic programs to solve complex wind energy challenges. Through the competition, WETO intends to offer students direct industry experience, valuable exposure to wind energy career pathways, and greater knowledge of wind energy's potential to contribute to a clean energy future. The competition will select up to 35 teams to start, making them eligible to compete for a cash prize pool of up to $280,000 . Each year, the competition identifies a new challenge and set of activities that address real-world research questions, thus demonstrating skills that students will need to work in the wind or wider renewable energy industries. The Collegiate Wind Competition 2025 challenge requires participants to compete simultaneously in four contests: 1) Turbine Prototype Contest: Design, build, and present a unique, wind-driven power system based on market research; 2) Turbine Testing Contest: Test the wind turbine in a competition wind tunnel at the final event; 3) Project Development Contest: Research wind resource data, transmission infrastructure, and environmental factors to create a site plan and financial analysis for a hypothetical wind farm; and Connection Creation Contest: Partner with wind industry professionals, raise awareness of wind energy in your local community, and work with local media to promote your team's accomplishments. The competition does not prescribe a power system market or wind regime. It is expected that each team will participate in all four contests.

collegiate wind competition↗
DOE OSTI2022

The 2017 Pohang, South Korea, Mw 5.4 main shock was either natural or triggered, but not induced

Understanding the cause of the November 2017 Pohang main shock is of considerable importance to the future of the geothermal industry because of its large magnitude compared to prior expectations based on case histories of other projects involving underground fluid injection. Of the three possibilities – induced, triggered or natural, “induced” can be ruled out based on the disproportionately large seismic moment of the main shock. Furthermore, whether natural or triggered, the source of seismic hazard at Pohang was tectonic strain accumulation, not fluid injection. Arguably, the most timely indicator of seismic hazard and risk in the environs of Pohang was the September 2016 Mw 5.4 Gyeongju earthquake, which was natural and located about 40 km south of Pohang along the same active fault system.

58 GEOSCIENCES↗
DOE OSTI2024

Theory of topological defects and textures in two-dimensional quantum orders with spontaneous symmetry breaking

In this article, we consider two-dimensional (2d) quantum many-body systems with long-range orders, where the only gapless excitations in the spectrum are Goldstone modes of spontaneously broken continuous symmetries. To understand the interplay between classical long-range order of local order parameters and quantum order of long-range entanglement in the ground states, we study the topological point defects and textures of order parameters in such systems. We show that the universal properties of point defects and textures are determined by the remnant symmetry enriched topological order in the symmetry-breaking ground states with a nonfluctuating order parameter, and provide a classification for their properties based on the inflation-restriction exact sequence. We highlight a few phenomena revealed by our theory framework. First, in the absence of intrinsic topological orders, we show a connection between the symmetry properties of point defects and textures to deconfined quantum criticality. Second, when the symmetry-breaking ground state has intrinsic topological orders, we show that the point defects can permute different anyons when braided around. They can also obey projective fusion rules in the sense that multiple vortices can fuse into an Abelian anyon, a phenomenon for which we coin “defect fractionalization.” Finally, we provide a formula to compute the fractional statistics and fractional quantum numbers carried by textures (skyrmions) in Abelian topological orders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

CRNT4SBML: a Python package for the detection of bistability in biochemical reaction networks

Motivation: Signaling pathways capable of switching between two states are ubiquitous within living organisms. They provide the cells with the means to produce reversible or irreversible decisions. Switchlike behavior of biological systems is realized through biochemical reaction networks capable of having two or more distinct steady states which are dependent on initial conditions. Investigation of whether a certain signaling pathway can confer bistability involves a substantial amount of hypothesis testing. The cost of direct experimental testing can be prohibitive. Therefore, constraining the hypothesis space is highly bene?cial. One such methodology is based on Chemical Reaction Network Theory which uses computational techniques to rule out pathways that are not capable of bistability regardless of kinetic constant values and molecule concentrations. Although useful, these methods are complicated from both pureandcomputationalmathematicsperspectives.Thus,theiradoptionisverylimitedamongstbiologists. Results: We brought Chemical Reaction Network Theory approaches closer to experimental biologists by automating all the necessary steps in CRNT4SMBL. The input is based on SBML format which is the community standard for biological pathway communication. The tool parses SBML and derives C-graph representations of the biological pathway with mass action kinetics. Next steps involve an ef?cient search for potential saddle-node bifurcation points using an optimization technique. This type of bifurcation is important as it has the potential of acting as a switching point between two steady states. Finally, if any bifurcation points are present, numerical continuation analysis extends the equilibria branches for generating the diagram. Presence of an S-shaped bifurcation diagram indicates that the pathway acts as a bistable switch for the given optimization parameters. Availability: CRNT4SBML is available via the Python Package Index. The documentation can be found at https://crnt4sbml.readthedocs.io. CRNT4SBML is licensed under the Apache Software License 2.0. Contact: vladislav.petyuk@pnnl.gov

Reyes, Brandon C.↗
DOE OSTI2020

Residential Battery Modeling for Control-Oriented Techno-Economic Studies: Preprint

Electrochemical batteries, which serve as electric energy storage devices, are becoming increasingly popular among residential buildings that incorporate solar photovoltaic (PV) systems to help meet their energy needs. Battery economics are affected by performance degradation over time, and managing this degradation can help extend the battery's lifespan. The tradeoff between operational costs/benefits and managing battery degradation is of significant research interest. One of the key factors for assessing battery degradation is the dispatch strategy used to control the charging and discharging of the battery. Conventional dispatch strategies typically use simple rule-based methods, and these overly aggressive charging/discharging cycles can significantly reduce a battery’s life span. Our research seeks to develop optimized dispatch strategies for grid-connected PV homes with a goal of extending battery life while simultaneously taking into consideration utility costs and occupant comfort. To achieve this goal, we adapted lithium-ion battery life- and cyclic-degradation models for use in high-fidelity building simulations, so whole-building and grid-interactive controllers can dispatch the batteries along with other flexible loads. With the help of a co-simulation platform, we performed a simulation study to compute the optimized dispatch strategies for relevant operating conditions brought about by changing geographical locations, weather conditions, and utility pricing. Comparing the optimized strategies with the conventional strategies resulted in a >50% decrease in capacity degradation and >10% average reduction in operational costs during the months of January and July in Fort Collins, Colorado; Phoenix, Arizona; and Portland, Oregon.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI1989

Nuclear Safety [Vol. 30, No. 3, July-September 1989]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 325 Safety of Framatome Advanced Nuclear Steam Supply Systems Designs by J. A. Charles and D. Lange, 333 Book Review of Nuclear Accidents: Intervention Levels for the Protection of the Public by H. B. Piper; ACCIDENT ANALYSIS: 335 Living PRA Computer Systems by S. C. Dinsmore and H.-P. Balfanz, 343 Summary of ICAP Assessments of RELAP5/MOD2 by W. E. Driskell and R. G. Hanson; CONTROL AND INSTRUMENTATION: 352 Thermal Performance Monitoring System at Maanshan Nuclear Power Plant by H.-J. Chao, Y.-P. Lin, G.-H. Jou, L.-Y. Liao, and Y.-B. Chen; DESIGN FEATURES: 358 Warning Systems for Nuclear Power Plant Emergencies by J. H. Sorensen and D. S. Mileti; WASTE AND SPENT FUEL MANAGEMENT: 371 Activities Related to Waste Management Compiled by E G. Silver; OPERATING EXPERIENCES: 382 Steam Generator Tube Performance: Experience with Water-Cooled Nuclear Power Reactors During 1985 by O. S. Tatone and R. L. Tapping, 400 Systems Interaction Analyses: Concepts and Techniques (Part II) by M. D. Muhlheim and G. A. Murphy, 413 Reactor Shutdown Experience Compiled by J. W. Cletcher, 416 Operating U.S. Power Reactors Compiled by E G. Silver; RECENT DEVELOPMENTS: 440 General Administrative Activities Compiled by E G. Silver, 460 Reports, Standards, and Safety Guides by D. S. Queener, 466 Status of Power-Reactor Licensing Activities Compiled by E G. Silver, 470 Proposed Rule Changes as of Mar. 31, 1989; ANNOUNCEMENTS: 334 Proceedings Published, 351 CEC Seminar on Methods and Codes for Assessing the Off-Site Consequences of Nuclear Accidents, 357 Short Course on Multiphase Flow and Heat Transfer: Bases and Applications in A: The Nuclear Power Industry B: The Process Industries, 357 International Conference on Probabilistic Safety Assessment and Management, 478 International Topical Meeting on the Safety, Status, and Future of Non-Commercial Reactors and Irradiation Facilities, 475 The Authors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Hardness of Observing Strong-to-Weak Symmetry Breaking

Spontaneous symmetry breaking (SSB) is the cornerstone of our understanding of quantum phases of matter. Recent works have generalized this concept to the domain of mixed states in open quantum systems, where symmetries can be realized in two distinct ways dubbed strong and weak. Novel intrinsically mixed phases of quantum matter can then be defined by the spontaneous breaking of strong symmetry down to weak symmetry. However, proposed order parameters for strong-to-weak SSB (based on mixed-state fidelities or purities) seem to require exponentially many copies of the state, raising the question: Is it possible to efficiently detect strong-to-weak SSB, in general? In this work, we answer this question negatively in the paradigmatic cases of ℤ2 and U(1) symmetries. We construct ensembles of pseudorandom mixed states that do not break the strong symmetry yet are computationally indistinguishable from states that do. This rules out the existence of efficient state-agnostic protocols to detect strong-to-weak SSB.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Structural Design and Modeling of MARVEL Primary Coolant System Using the ASME Section III, Division 5, Code

This paper presents the structural design and supporting analysis for the Microreactor Applications Research Validation and Evaluation (MARVEL) primary coolant system (PCS) using the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code Section III, Division 5, rules. MARVEL is a liquid metal–cooled microreactor intended to provide experimental capabilities for the rapid testing and development of microreactor technologies. The PCS utilizes high-temperature sodium-potassium liquid metal as the primary coolant and operates at a design temperature of 570°C, necessitating the consideration of creep-related failure mechanisms. The base metal for the PCS is 316H stainless steel, and the weldments are made with a 16-8-2 filler. The design approach incorporates the current base code rules along with ASME code cases N-924, N-861, and N-862 to address primary load, ratcheting, and creep-fatigue evaluations, respectively. The reactor’s operation involves complex thermal and mechanical interactions due to natural convective flow and differential thermal expansion between components. In conclusion, this paper discusses the structural engineering challenges encountered, such as managing thermal stresses in the distribution plenum and guard vessel, and outlines the strategies implemented to meet the code requirements, including design modifications and operational constraints.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2026

Recursive algorithm for constructing antisymmetric fermionic states in first quantization mapping

We devise a deterministic quantum algorithm to produce antisymmetric states of single-particle orbitals in the first quantization mapping. Unlike sorting-based antisymmetrization algorithms, which require ordered input states and high Clifford-gate overhead, our approach initializes the state of each particle independently. For a system of $η$ particles and $N$ single-particle states, our algorithm prepares antisymmetrized states of non-trivial localized (e.g., Hartree-Fock) orbitals using $O(η^2\sqrt{N})$ $T$-gates, outperforming alternative algorithms when $η ≲ \sqrt{N}$. To achieve such scaling, we require $O(\sqrt{N})$ dirty ancilla qubits for intermediate calculations. Knowledge of the single-particle states to be antisymmetrized can be leveraged to further improve the efficiency of the circuit, and a measurement-based variant reduces gate cost by roughly a factor of two. We show example circuits for two- and three-particle systems and discuss the generalization to an arbitrary number of particles. For a specific three-particle example, we decompose the circuit into Clifford $+T$ gates and study the impact of noise on the prepared state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Data-Driven Affinely Adjustable Robust Volt/VAr Control

Recent years have seen the increasing proliferation of distributed energy resources with intermittent power outputs, posing new challenges to the voltage management in distribution networks. To this end, this paper proposes a data-driven affinely adjustable robust Volt/VAr control (AARVVC) scheme, which modulates the smart inverter’s reactive power in an affine function of its active power, based on the voltage sensitivities with respect to real/reactive power injections. To achieve a fast and accurate estimation of voltage sensitivities, we propose a data-driven method based on deep neural network (DNN), together with a rule-based bus-selection process using the bidirectional search method. Our method only uses the operating statuses of selected buses as inputs to DNN, thus significantly improving the training efficiency and reducing information redundancy. Finally, a distributed consensus-based solution, based on the alternating direction method of multipliers (ADMM), for the AARVVC is applied to decide the inverter’s reactive power adjustment rule with respect to its active power. Only limited information exchange is required between each local agent and the central agent to obtain the slope of the reactive power adjustment rule, and there is no need for the central agent to solve any (sub)optimization problems. Finally, numerical results on the modified IEEE-123 bus system validate the effectiveness and superiority of the proposed data-driven AARVVC method.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Imaging how thermal capillary waves and anisotropic interfacial stiffness shape nanoparticle supracrystals

Abstract Development of the surface morphology and shape of crystalline nanostructures governs the functionality of various materials, ranging from phonon transport to biocompatibility. However, the kinetic pathways, following which such development occurs, have been largely unexplored due to the lack of real-space imaging at single particle resolution. Here, we use colloidal nanoparticles assembling into supracrystals as a model system, and pinpoint the key role of surface fluctuation in shaping supracrystals. Utilizing liquid-phase transmission electron microscopy, we map the spatiotemporal surface profiles of supracrystals, which follow a capillary wave theory. Based on this theory, we measure otherwise elusive interfacial properties such as interfacial stiffness and mobility, the former of which demonstrates a remarkable dependence on the exposed facet of the supracrystal. The facet of lower surface energy is favored, consistent with the Wulff construction rule. Our imaging–analysis framework can be applicable to other phenomena, such as electrodeposition, nucleation, and membrane deformation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

How data science methods can improve the quality and efficiency of ICF and HEDP research

Data Science methods (many that are Bayesian based) are widely used in the physical sciences to estimate model parameters from experimental data, synthesize heterogeneous data, calibrate models, design experiments, and determine statistical significance of data. These methods provide a wealth of advantages over traditional analysis techniques because: 1) uncertainties are rigorously defined and propagated naturally through complex systems including covariance, 2) prior information is captured within the analysis framework (including rad-MHD and rad-hydro simulations), 3) competing models can be selected and/or ruled out using quantitative criteria, and 4) complex, heterogeneous data can be incorporated simultaneously. While these methods have been widely adopted as the gold standard in fields such as particle physics, astronomy, and biology, they have been slow to catch on in Inertial Confinement Fusion (ICF) and High Energy Density Physics (HEDP) research. Recently, several teams at LLNL, SNL, LANL, and the LLE have been exploring the use of these tools in their research and have found success. Here we propose that a concerted effort to consolidate these independent research efforts by developing and deploying common tools for use across the complex can revolutionize the way we approach data analysis, assimilation of theory and experiment, and decision making. The Bayesian formalism provides a means to accomplish this, but we are lacking certain infrastructure to make it happen on a large scale. Furthermore, once adopted, these techniques can be used to develop standards by which discoveries can be judged, similar to the so-called 5σ rule in high energy particle physics. Such standards may be used in the future to address the issue of unknown reproducibility in ICF and HED experiments caused by low shot rate and high cost per experiment. Our goals as a group are to advance the state of the art in HED measurement science by enabling: 1) better inferences from data with well-defined uncertainties, 2) better use of the data we have and continue to collect, 3) intelligent synthesis of data, 4) evaluation of the statistical significance of our data, and 5) informed decision making regarding the design of new experiments and instruments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Advanced Reactor Safeguards: 2022 Program Roadmap

The Advanced Reactor Safeguards (ARS) program was established in 2020 as part of appropriations for the Advanced Reactor Demonstration Program (ARDP) through the Office of Nuclear Energy in the Department of Energy. The goal of this program is to help address near term challenges that advanced nuclear reactor vendors face in meeting domestic Material Control and Accountancy (MC&A) and Physical Protection System (PPS) requirements for U.S. construction. The technical work in the program is meant to (1) support nuclear reactor vendors with advanced MC&A and PPS designs for next generation reactors, (2) provide technical bases for the regulator, and (3) promote the integration of Safeguards and Security by Design early in the design process. Existing domestic regulations for safeguards and security, as outlined in the Code of Federal Regulations, were written for large light water reactors, and rule-making efforts are underway to develop regulations more suited to different reactor designs. The ARS program seeks to remove roadblocks in the deployment of new and advanced reactors by solving regulatory challenges, reducing safeguards and security costs, and utilizing the latest technologies and approaches for robust plant monitoring and protection. This roadmap discusses the goals of the ARS program, current research, and program plan for the next five years.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2021

A forecast-driven decision-making model for long-term operation of a hydro-wind-photovoltaic hybrid system

Hydro-wind-photovoltaic (PV) hybrid system has the potential to increase the integration of renewable energy sources into an existing grid. For the long-term operation of the system, due to the non-storable nature of wind and PV power, it is essentially to decide the optimal long-term carryover storage of cascade reservoirs. However, it remains a challenge due to high uncertainties of long-term forecasts and complicated hydraulic/electrical relationships between cascade reservoirs. Here in this study, a forecast-driven decision-making model is proposed for the hybrid system, which converts the multi-stage long-term operation process into a two-stage operation problem (including current stage and carryover stage) to avoid using longer-horizon forecast information with lower accuracy. First, the carryover stage energy surfaces (CESs) considering the forecast uncertainties of wind, solar and hydro resources are proposed to characterize carryover stage benefit quantitatively. Then a CESs-based forward decision-making optimization model is developed to guide the long-term operation of a hydro-wind-photovoltaic hybrid system. The applications in a hydro-wind-PV hybrid system of Yalong River basin results show that: compared with conventional operation, 1) power generation increases 9.03%; 2) in terms of the carryover storages control, the reservoir impounding and drawdown timing are delayed, and the drawdown depth is increased, which can be used to formulate better reservoir operation rules.

13 HYDRO ENERGY↗
DOE OSTI2021

Three-state harmonic models for photoinduced charge transfer

A widely used strategy for simulating the charge transfer between donor and acceptor electronic states in an all-atom anharmonic condensedphase system is based on invoking linear response theory to describe the system in terms of an effective spin-boson model Hamiltonian. Extending this strategy to photoinduced charge transfer processes requires also taking into consideration the ground electronic state in addition to the excited donor and acceptor electronic states. In this paper, we revisit the problem of describing such nonequilibrium processes in terms of an effective three-state harmonic model. We do so within the framework of nonequilibrium Fermi’s golden rule (NE-FGR) in the context of photoinduced charge transfer in the carotenoid–porphyrin–C 60 (CPC 60 ) molecular triad dissolved in explicit tetrahydrofuran (THF). To this end, we consider different ways for obtaining a three-state harmonic model from the equilibrium autocorrelation functions of the donor–acceptor, donor–ground, and acceptor–ground energy gaps, as obtained from all-atom molecular dynamics simulations of the CPC 60 /THF system. The quantum-mechanically exact time-dependent NE-FGR rate coefficients for two different charge transfer processes in two different triad conformations are then calculated using the effective three-state model Hamiltonians as well as a hierarchy of more approximate expressions that lead to the instantaneous Marcus theory limit. Our results show that the photoinduced charge transfer in CPC 60 /THF can be described accurately by the effective harmonic three-state models and that nuclear quantum effects are small in this system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗