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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Measuring the thermal and ionization state of the low- z IGM using likelihood free inference

ABSTRACT We present a new approach to measure the power-law temperature density relationship $T=T_0 (\rho/ \bar{\rho })^{\gamma -1}$ and the UV background photoionization rate $\Gamma _{{{{\rm H\, {\small I}}}}{}}$ of the intergalactic medium (IGM) based on the Voigt profile decomposition of the Ly α forest into a set of discrete absorption lines with Doppler parameter b and the neutral hydrogen column density $N_{\rm H\, {\small I}}$. Previous work demonstrated that the shape of the $b-N_{{{{\rm H\, {\small I}}}}{}}$ distribution is sensitive to the IGM thermal parameters T0 and γ, whereas our new inference algorithm also takes into account the normalization of the distribution, i.e. the line-density dN/dz, and we demonstrate that precise constraints can also be obtained on $\Gamma _{{{{\rm H\, {\small I}}}}{}}$. We use density-estimation likelihood-free inference (DELFI) to emulate the dependence of the $b-N_{{{{\rm H\, {\small I}}}}{}}$ distribution on IGM parameters trained on an ensemble of 624 nyx hydrodynamical simulations at z = 0.1, which we combine with a Gaussian process emulator of the normalization. To demonstrate the efficacy of this approach, we generate hundreds of realizations of realistic mock HST/COS data sets, each comprising 34 quasar sightlines, and forward model the noise and resolution to match the real data. We use this large ensemble of mocks to extensively test our inference and empirically demonstrate that our posterior distributions are robust. Our analysis shows that by applying our new approach to existing Ly α forest spectra at z ≃ 0.1, one can measure the thermal and ionization state of the IGM with very high precision ($\sigma _{\log T_0} \sim 0.08$ dex, σγ ∼ 0.06, and $\sigma _{\log \Gamma _{{{{\rm H\, {\small I}}}}{}}} \sim 0.07$ dex).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Multi-Frequency Analysis of Simulated versus Observed Variability in Tropospheric Temperature

Studies seeking to identify a human-caused global warming signal generally rely on climate model estimates of the “noise” of intrinsic natural variability. Assessing the reliability of these noise estimates is of critical importance. We evaluate here the statistical significance of differences between climate model and observational natural variability spectra for global-mean mid- to upper-tropospheric temperature (TMT). We use TMT information from satellites and large multimodel ensembles of forced and unforced simulations. Our main goal is to explore the sensitivity of model-versus-data spectral comparisons to a wide range of subjective decisions. These include the choice of satellite and climate model TMT datasets, the method for separating signal and noise, the frequency range considered, and the statistical model used to represent observed natural variability. Of particular interest is the amplitude of the interdecadal noise against which an anthropogenic tropospheric warming signal must be detected. We find that on time scales of 5–20 years, observed TMT variability is (on average) overestimated by the last two generations of climate models participating in the Coupled Model Intercomparison Project. This result is relatively insensitive to different plausible analyst choices, enhancing confidence in previous claims of detectable anthropogenic warming of the troposphere and indicating that these claims may be conservative. A further key finding is that two commonly used statistical models of short-term and long-term memory have deficiencies in their ability to capture the complex shape of observed TMT spectra.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

An Integrated Hydroclimatic Assessment of Future Reservoir and Hydropower Operations in the U.S.

The engineering of rivers by dams is a formative feature of human-nature systems and the interconnectivity of water, energy, and the climate. Sufficient and broad-based representations of dams in large-scale hydrological models prove essential to mapping their extensive regulation of river flow and biogeochemistry and gauging climate-linked provisions, including freshwater supply and hydropower. We present an integrated modeling framework to investigate future streamflow and hydropower generation in the Contiguous U.S. (1990–2075), leveraging an ensemble of six downscaled and bias-corrected General Circulation Models (GCMs) from the high-end SSP585 scenario of the CMIP6. To achieve this, we develop a reservoir operations and parameterization scheme for 1,384 dams in a high-resolution river network, including simulated hydropower generation for 326 dams. For the GCM ensemble mean, we simulate a widespread increase in regulated streamflow into the late-century (11% annual and 17% in winter for the dam median) with region-specific changes in summer streamflow that feature prominent declines in the Northwest (−7%). Mediation by reservoirs is shown to dampen intra-annual streamflow changes, delivering additional summer releases that partially mitigate declining flows. Total hydropower generation is projected to increase modestly (+3%), with boosted generation in the winter (+9%) and spring (+5%) offsetting declined summer generation (−3.4%), suggesting strong adaptation potential for hydropower in the future energy portfolio. Further analysis reveals that the choice of GCM, particularly in western regions, has significant bearing on projected streamflow and hydropower changes.

13 HYDRO ENERGY↗
DOE OSTI2025

Resolving turbulent magnetohydrodynamics: a hybrid operator-diffusion framework

We present a hybrid machine learning framework that combines physics-informed neural operators (PINOs) with score-based generative diffusion models to simulate the full spatio-temporal evolution of two-dimensional, incompressible, resistive magnetohydrodynamic turbulence across a broad range of Reynolds numbers (Re). The framework leverages the equation-constrained generalization capabilities of PINOs to predict coherent, low-frequency dynamics, while a conditional diffusion model stochastically corrects high-frequency residuals, enabling accurate modeling of fully developed turbulence. Trained on a comprehensive ensemble of high-fidelity simulations with Re ϵ {100, 250, 500, 750, 1000, 3000, 10000}, the approach achieves state-of-the-art accuracy in regimes previously inaccessible to deterministic surrogates. At Re = 1000 and 3000, the model faithfully reconstructs the full spectral energy distributions of both velocity and magnetic fields late into the simulation, capturing non-Gaussian statistics, intermittent structures, and cross-field correlations with high fidelity. At extreme turbulence levels (Re = 10 000), it remains the first surrogate capable of recovering the high-wavenumber evolution of the magnetic field, preserving large-scale morphology and enabling statistically meaningful predictions.

Diffusion-Integrated Neural Operators↗
DOE OSTI2024

Mapping Composition Evolution through Synthesis, Purification, and Depolymerization of Random Heteropolymers

Random heteropolymers (RHPs) consisting of three or more comonomers have been routinely used to synthesize functional materials. While increasing the monomer variety diversifies the side-chain chemistry, this substantially expands the sequence space and leads to ensemble-level sequence heterogeneity. Most studies have relied on monomer composition and simulated sequences to design RHPs, but the questions remain unanswered regarding heterogeneities within each RHP ensemble and how closely these simulated sequences reflect the experimental outcomes. Here, we quantitatively mapped out the evolution of monomer compositions in four-monomer-based RHPs throughout a design-synthesis-purification-depolymerization process. By adopting a Jaacks method, we first determined 12 reactivity ratios directly from quaternary methacrylate RAFT copolymerization experiments to account for the influences of competitive monomer addition and the reversible activation/deactivation equilibria. The reliability of in silico analysis was affirmed by a quantitative agreement (<4% difference) between the simulated RHP compositions and the experimental results. Furthermore, we mapped out the conformation distribution within each ensemble in different solvents as a function of monomer chemistry, composition, and segmental characteristics via high-throughput computation based on self-consistent field theory (SCFT). These comprehensive studies confirmed monomer composition as a viable design parameter to engineer RHP-based functional materials as long as the reactivity ratios are accurately determined and the livingness of RHP synthesis is ensured.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Emulation With Uncertainty Quantification of Regional Sea‐Level Change Caused by the Antarctic Ice Sheet

Abstract Projecting regional sea‐level change under various climate‐change scenarios typically involves running forward simulations of the Earth's gravitational, rotational and deformational (GRD) response to ice‐mass change, which requires substantial computational cost if applied to probabilistic frameworks requiring thousands to millions of samples. Here we build emulators of regional sea‐level change at 27 coastal locations, due to the GRD effects associated with future Antarctic Ice Sheet mass change over the 21st century. The emulators are evaluated against a numerical sea‐level model applied to an ensemble of ice‐sheet model simulations of the Antarctic Ice Sheet through 2100. We build a physics‐based emulator using a recent sensitivity kernel approach and compare it to machine learning based emulators (neural network and conditional variational autoencoder methods). In order to quantify uncertainty, we derive well‐calibrated prediction intervals for regional sea‐level change via split‐conformal inference and linear regression, and show that Monte Carlo dropout does not yield well‐calibrated uncertainties in this instance. We also demonstrate substantial gains in computational efficiency using both the physics‐based emulator and neural networks in comparison to the numerical model for the complete regional sea‐level solution. Overall, we find the physics‐based emulator modestly outperforms the machine learning emulators for this problem.

58 GEOSCIENCES↗
DOE OSTI2024

EAGLES Liquid Cloud Testbed Large Eddy Simulation Library (v2)

This library consists of large eddy simulation (LES) model output using the PINACLES codebase coupled to the Hebrew University Fast Spectral Bin Microphysics scheme representing shallow, liquid phase clouds from a range of global liquid cloud testbed regions as well as some well known LES model intercomparison cases. This data is particularly suitable for examining microphysical modeling assumptions in coarser-scale models, and was used for this purpose in the work "“Evaluation of Autoconversion Representation in E3SM.v2 using an Ensemble of Large-Eddy Simulations of Low-Level Warm Clouds” by M. Ovchinnikov, P.-L. Ma, C. M. Kaul, K. G. Pressel, M. Huang, J. Shpund, and S. Tang

Kaul, Colleen M↗
DOE OSTI2024

Toward machine-learning-assisted PW-class high-repetition-rate experiments with solid targets

We present progress in utilizing a machine learning (ML) assisted optimization framework to study the trends in a parameter space defined by spectrally shaped, high-intensity, petawatt-class (8 J, 45 fs) laser pulses interacting with solid targets and give the first simulation-based overview of predicted trends. A neural network (NN) incorporating uncertainty quantification is trained to predict the number of hot electrons generated by the laser–target interaction as a function of pulse shaping parameters. The predictions of this NN serve as the basis function for a Bayesian optimization framework to navigate this space. For post-experimental evaluation, we compare two separate neural network (NN) models. One is based solely on data from experiments, and the other is trained only on ensemble particle-in-cell simulations. Reviewing the predicted and observed trends across the experiment-capable laser parameter search space, we find that both ML models predict a maximal increase in hot electron generation at a level of approximately 12%–18%; however, no statistically significant enhancement was observed in experiments. On direct comparison of the NN models, the average discrepancy is 8.5%, with a maximum of 30%. Since shot-to-shot fluctuations in experiments affect the observations, we evaluate the behavior of our optimization framework by performing virtual experiments that vary the number of repeated observations and the noise levels. Here, we discuss the implications of such a framework for future autonomous exploration platforms in high-repetition-rate experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

The remarkable inefficiency of stratocumulus

Marine stratocumulus clouds play a central role in Earth's climate system by reflecting incoming solar radiation and exerting a strong cooling effect. Their organization into open and closed mesoscale cellular morphologies can be thought of as an example of bistable dynamics driven by aerosol–cloud interactions and mesoscale processes. From the perspective of non-equilibrium thermodynamics, these structures are an example of a far-from-equilibrium open system that continuously produces and exports entropy. While entropy production has been studied in idealized deep convective systems, it has not yet been quantified for shallow clouds. Here, we compute and decompose the internal entropy production of open- and closed-cell stratocumulus using an ensemble of large-eddy simulations. We show that the overall entropy production of stratocumulus is low, reflecting the limited vertical extent and corresponding reduced ability to utilize the energy fluxes at the system's boundaries. Moist processes dominate the overall irreversibility, which, combined with their low entropy production, leads to a mechanical efficiency about an order of magnitude smaller than in deep convective systems. Although the dominant irreversible processes differ between open- and closed-cell regimes, the distributions of total entropy production largely overlap across the ensemble, limiting the ability to distinguish the dynamics of individual cases based solely on total entropy production.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A baseline for ensemble-based, time-resolved inflow reconstruction for a single turbine using large-eddy simulations and latent diffusion models

We are interested in reconstructing winds flowing through a turbine on a second-by-second basis over a 10 min window. Previously, we developed a machine learning algorithm that takes in a snapshot of wind speed measurements and generates ensembles of three-dimensional wind field estimates. Here, we use these estimates as initial conditions in large-eddy simulations and reconstruct atmospheric and turbine response dynamic quantities in a synthetic field campaign. In doing so, we establish a baseline for model validation that future time-aware data assimilation techniques will be compared to. In turbine-free case studies, ground truth wind speeds consistently fall within our estimated wind speed distribution for the first 100 s after the simulation start. In simulations with turbines, the wind estimates show a small bias of 0.10 m s 1 and good correlation of 0.80 during the first 100 s. During this window, our estimates of the Blade 1 bending moment and generator power typically span the ground truth, with the estimate of the former performing better overall. In summary, this approach shows promise as a stand-alone technique for reconstructing real-world inflow and turbine dynamics in 1-2 min windows and as a foundation for future time-aware data assimilation techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

An overview of the E3SM version 2 large ensemble and comparison to other E3SM and CESM large ensembles

Abstract. This work assesses a recently produced 21-member climate model large ensemble (LE) based on the U.S. Department of Energy's Energy Exascale Earth System Model (E3SM) version 2 (E3SM2). The ensemble spans the historical era (1850 to 2014) and 21st century (2015 to 2100), using the SSP370 pathway, allowing for an evaluation of the model's forced response. A companion 500-year preindustrial control simulation is used to initialize the ensemble and estimate drift. Characteristics of the LE are documented and compared against other recently produced ensembles using the E3SM version 1 (E3SM1) and Community Earth System Model (CESM) versions 1 and 2. Simulation drift is found to be smaller, and model agreement with observations is higher in versions 2 of E3SM and CESM versus their version 1 counterparts. Shortcomings in E3SM2 include a lack of warming from the mid to late 20th century, likely due to excessive cooling influence of anthropogenic sulfate aerosols, an issue also evident in E3SM1. Associated impacts on the water cycle and energy budgets are also identified. Considerable model dependence in the response to both aerosols and greenhouse gases is documented and E3SM2's sensitivity to variable prescribed biomass burning emissions is demonstrated. Various E3SM2 and CESM2 model benchmarks are found to be on par with the highest-performing recent generation of climate models, establishing the E3SM2 LE as an important resource for estimating climate variability and responses, though with various caveats as discussed herein. As an illustration of the usefulness of LEs in estimating the potential influence of internal variability, the observed CERES-era trend in net top-of-atmosphere flux is compared to simulated trends and found to be much larger than the forced response in all LEs, with only a few members exhibiting trends as large as observed, thus motivating further study.

58 GEOSCIENCES↗
DOE OSTI2024

Weakened Orographic Influence on Cool-Season Precipitation in Simulations of Future Warming Over the Western US

High-resolution regional climate model (RCM) simulations of global warming consistently predict larger percentage increases in precipitation in the lee of midlatitude mountain ranges than on their windward slopes, indicating a weakening of the orographic rain shadow. This redistribution of precipitation could have profound consequences for water resources and ecosystems, but its underlying mechanisms are unknown. Here we show that rain-shadow weakening is just one manifestation of a more general decrease in the influence of orography on precipitation under global warming. We introduce a simple model of precipitation change based on this principle, and find that it agrees well with an ensemble of high-resolution simulations performed over the western United States. We argue that diminished orographic influence can be explained by the unique vertical structure of orographically forced ascent, which tends to maximize in the lower atmosphere where condensation is thermodynamically less sensitive to warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Electron energization in reconnection: Eulerian vs Lagrangian perspectives

Particle energization due to magnetic reconnection is an important unsolved problem for myriad space and astrophysical plasmas. Electron energization in magnetic reconnection has traditionally been examined from a particle, or Lagrangian, perspective using particle-in-cell (PIC) simulations. Guiding-center analyses of ensembles of PIC particles have suggested that Fermi (curvature drift) acceleration and direct acceleration via the reconnection electric field are the primary electron energization mechanisms. However, both PIC guiding-center ensemble analyses and spacecraft observations are performed in an Eulerian perspective. For this work, we employ the continuum Vlasov–Maxwell solver within the Gkeyll simulation framework to reexamine electron energization from a kinetic continuum, Eulerian, perspective. We separately examine the contribution of each drift energization component to determine the dominant electron energization mechanisms in a moderate guide-field Gkeyll reconnection simulation. In the Eulerian perspective, we find that the diamagnetic and agyrotropic drifts are the primary electron energization mechanisms away from the reconnection x-point, where direct acceleration dominates. We compare the Eulerian (Vlasov Gkeyll) results with the wisdom gained from Lagrangian (PIC) analyses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

SEC ‐ SAXS / MC Ensemble Structural Studies of the Microtubule Binding Protein Cdt1 Show Monomeric, Folded‐Over Conformations

ABSTRACT Cdt1 is a mixed folded protein critical for DNA replication licensing and it also has a “moonlighting” role at the kinetochore via direct binding to microtubules and the Ndc80 complex. However, it is unknown how the structure and conformations of Cdt1 could allow it to participate in these multiple, unique sets of protein complexes. While robust methods exist to study entirely folded or unfolded proteins, structure–function studies of combined, mixed folded/disordered proteins remain challenging. In this work, we employ orthogonal biophysical and computational techniques to provide structural characterization of mitosis‐competent human Cdt1. Thermal stability analyses shows that both folded winged helix domains1 are unstable. CD and NMR show that the N‐terminal and linker regions are intrinsically disordered. DLS shows that Cdt1 is monomeric and polydisperse, while SEC‐MALS confirms that it is monomeric at high concentrations, but without any apparent inter‐molecular self‐association. SEC‐SAXS enabled computational modeling of the protein structures. Using the program SASSIE, we performed rigid body Monte Carlo simulations to generate a conformational ensemble of structures. We observe that neither fully extended nor extremely compact Cdt1 conformations are consistent with SAXS. The best‐fit models have the N‐terminal and linker disordered regions extended into the solution and the two folded domains close to each other in apparent “folded over” conformations. We hypothesize the best‐fit Cdt1 conformations could be consistent with a function as a scaffold protein that may be sterically blocked without binding partners. Our study also provides a template for combining experimental and computational techniques to study mixed‐folded proteins.

Cell Biology↗
DOE OSTI2021

Large-scale Gravitational Lens Modeling with Bayesian Neural Networks for Accurate and Precise Inference of the Hubble Constant

We investigate the use of approximate Bayesian neural networks (BNNs) in modeling hundreds of time delay gravitational lenses for Hubble constant (H 0 ) determination. Here, our BNN was trained on synthetic Hubble Space Telescope quality images of strongly lensed active galactic nuclei with lens galaxy light included. The BNN can accurately characterize the posterior probability density functions (PDFs) of model parameters governing the elliptical power-law mass profile in an external shear field. We then propagate the BNN-inferred posterior PDFs into an ensemble H 0 inference, using simulated time delay measurements from a plausible dedicated monitoring campaign. Assuming well-measured time delays and a reasonable set of priors on the environment of the lens, we achieve a median precision of 9.3% per lens in the inferred H 0 . A simple combination of a set of 200 test lenses results in a precision of 0.5 km s –1 Mpc –1 (0.7%), with no detectable bias in this H 0 recovery test. The computation time for the entire pipeline—including the generation of the training set, BNN training and H0 inference—translates to 9 minutes per lens on average for 200 lenses and converges to 6 minutes per lens as the sample size is increased. Being fully automated and efficient, our pipeline is a promising tool for exploring ensemble-level systematics in lens modeling for H 0 inference.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Improved Representations of Land‐Atmosphere Interactions Over the Continental U.S. Through Dynamic Root Modeling

Previous studies have identified the oversimplified root system representation as a key factor leading to inaccuracies in vegetation‐atmosphere feedbacks. In this study, a dynamic root water uptake scheme in the Noah‐MP land surface model has been coupled to the Weather Research and Forecasting (WRF) model to investigate its impact on the surface hydroclimate variables and land‐atmosphere interactions. To evaluate the impact of the dynamic root, two coupled simulations were conducted, one with the dynamic root water uptake scheme (DynRt) and one with the static root water uptake scheme (StcRt), which is based on the default root representation in Noah‐MP, with slight modifications, primarily in vegetation‐related parameters. Both DynRt and StcRt simulations were conducted with a small ensemble of three members to account for variations in physical parameterizations, initial and boundary forcing and model setup. When compared with reference data sets, the DynRt simulations show improved results than the StcRt simulations, reducing biases in the simulated leaf area index, surface energy fluxes, soil moisture and precipitation. Two different mechanisms through which roots affect land‐atmosphere coupling have been identified. Over the transitional climate zone between the dry and wet climate, the dynamic root scheme affects surface climate and land‐atmosphere coupling mainly through changes in soil moisture through hydraulic redistribution by plant root system. Over the energy‐limited mesic zone, the dynamic root affects regional land‐atmosphere coupling mainly through changes in carbon allocation. This work highlights the importance of dynamic root representation in improving vegetation‐atmosphere simulations by enhancing predictions of water, energy, and carbon fluxes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Data accompanying the publication "Sensitivity of grass fires burning in marginal conditions to atmospheric turbulence" in the Journal of Geophysical Research-Atmospheres

Data accompanying Jonko, Yedinak, Conley, and Linn (2021): "Sensitivity of grass fires burning in marginal conditions to atmospheric turbulence", JGR-Atmospheres. LA-UR-21-24832. The following files were generated from simulations performed with Los Alamos National Laboratory coupled atmosphere-fire behavior model FIRETEC v1.3: -area_burned.csv contains the area burned per second in m^2 for 45 CORE simulations, 20 INIT simulations and 20 BOUND simulations (85 columns), and 600 seconds of simulation (600 rows). -fire_perimeter.csv containing the fire perimeters in m for 45 CORE simulations, 20 INIT simulations and 20 BOUND simulations (85 columns), and 600 seconds of simulation (600 rows). -consumption_per_second.csv containing consumption in kg/s for 45 CORE simulations, 20 INIT simulations and 20 BOUND simulations (85 columns), and 600 seconds of simulation (600 rows). -rate_of_spread.csv containing the distance of the fire front from the ignition line in m for 45 CORE simulations, 20 INIT simulations and 20 BOUND simulations (85 columns), and 600 seconds of simulation (600 rows). -CORE1_u_10m_300_sec.hdf, INIT3_u_10m_300_sec.hdf, and BOUND3_u_10m_300_sec.hdf contain u wind speeds at 10 m height for 300 seconds (3D: time, x, y) of simulation for simulations CORE1, INIT3, and BOUND3, respectively. -CORE.final.fuel.density.hdf contains final fuel densities in the surface layer of the model (3D: ensemble member, x, y) for all 45 CORE simulations. -CORE{1-45}_3D_u_120_sec.hdf: 45 files containing vertically and horizontally resolved u winds for 120 seconds of simulation (4D: time, x, y, z) for the 45 CORE ensemble members. For additional information about this data, please contact the corresponding author at ajonko@lanl.gov.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Trajectory Ensemble Methods Provide Single-Molecule Statistics for Quantum Dynamical Systems

The emergence of experiments capable of probing quantum dynamics at the single-molecule level requires the development of new theoretical tools capable of simulating and analyzing these dynamics beyond an ensemble-averaged description. In this article, we present an efficient method for sampling and simulating the dynamics of the individual quantum systems that make up an ensemble and apply it to study the nonequilibrium dynamics of the ubiquitous spin-boson model. We generate an ensemble of single-system trajectories, and we analyze this trajectory ensemble using tools from classical statistical mechanics. Our results demonstrate that the dynamics of quantum coherence is highly heterogeneous at the single-system level due to variations in the initial bath configuration, which significantly affects the transient exchange of coherence between the system and its bath. Here, we observe that single systems tend to retain coherence over time scales longer than that of the ensemble. We also compute a novel thermodynamic entanglement entropy that quantifies a thermodynamic driving force favoring system–bath entanglement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗