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At least 361 records · Page 20

GronOR: Massively Parallel and GPU-Accelerated Non-Orthogonal Configuration Interaction for Large Molecular Systems

GronOR is a program package for non-orthogonal configuration interaction calculations for an electronic wave function built in terms of anti-symmetrized products of multi-configuration molecular fragment wave functions. The two-electron integrals that have to be processed may be expressed in terms of atomic orbitals or in terms of an orbital basis determined from the molecular orbitals of the fragments. The code has been specifically designed for execution on distributed memory massively parallel and Graphics Processing Unit (GPU)-accelerated computer architectures, using an MPI+OpenACC/OpenMP programming approach. The task-based execution model used in the implementation allows for linear scaling with the number of nodes on the largest pre-exascale architectures available, provides hardware fault resiliency, and enables effective execution on systems with distinct central processing unit-only and GPU-accelerated partitions. The code interfaces with existing multi-configuration electronic structure codes that provide optimized molecular fragment orbitals, configuration interaction coefficients, and the required integrals. Algorithm and implementation details, parallel and accelerated performance benchmarks, and an analysis of the sensitivity of the accuracy of results and computational performance to thresholds used in the calculations are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Non-Boussinesq subgrid-scale model with dynamic tensorial coefficients

A major drawback of Boussinesq-type subgrid-scale stress models used in large-eddy simulations is the inherent assumption of alignment between large-scale strain rates and filtered subgrid-stresses. A priori analyses using direct numerical simulation (DNS) data have shown that this assumption is invalid locally as subgrid-scale stresses are poorly correlated with the large-scale strain rates [J. Bardina, J. Ferziger, and W. Reynolds, Improved subgrid-scale models for large-eddy simulation, in Proceedings of the 13th Fluid and Plasmadynamics Conference, AIAA (1980); C. Meneveau and K. Katz, Scale-invariance and turbulence models for large-eddy simulation, Ann. Rev. Fluid Mech. 32, 1 (2000)]. In the present work, a new, non-Boussinesq subgrid-scale model is presented where the model coefficients are computed dynamically. Some previous non-Boussinesq models have observed issues in providing adequate dissipation of turbulent kinetic energy [e.g., Bardina et al., Proceedings of the 13th Fluid and Plasmadynamics Conference (1980); R. A. Clark, J. Ferziger, and W.C. Reynolds. Evaluation of subgrid-scale models using an accurately simulated turbulent flow, J. Fluid Mech. 91, 1 (1979); S. Stolz and N. A. Adams, An approximate deconvolution procedure for large-eddy simulation, Phys. Fluids 11, 1699 (1999)]; however, the present model is shown to provide sufficient dissipation using dynamic coefficients. Modeled subgrid-scale Reynolds stresses satisfy the consistency requirements of the governing equations for large-eddy simulation (LES), vanish in laminar flow and at solid boundaries, and have the correct asymptotic behavior in the near-wall region of a turbulent boundary layer. The new model, referred to as the dynamic tensor-coefficient Smagorinsky model (DTCSM), has been tested in simulations of canonical flows: decaying and forced homogeneous isotropic turbulence, and wall-modeled turbulent channel flow at high Reynolds numbers. The results show favorable agreement with DNS data. It has been shown that DTCSM offers similar predictive capabilities as the dynamic Smagorinsky model for canonical flows. In order to assess the performance of DTCSM in more complex flows, wall-modeled simulations of high Reynolds number flow over a Gaussian bump (Boeing speed bump) exhibiting smooth-body flow separation are performed. Predictions of surface pressure and skin friction, compared against DNS and experimental data, show improved accuracy from DTCSM in comparison to existing static coefficient (Vreman) and dynamic Smagorinsky model. The computational cost of performing LES with this model is up to 15% higher than the dynamic Smagorinsky model.

42 ENGINEERING↗

Statistical Treatment of Inverse Problems Constrained by Differential Equations-based Models with Stochastic Terms

This paper introduces a statistical treatment of inverse problems constrained by models with stochastic terms. The solution of the forward problem is given by a distribution represented numerically by an ensemble of simulations. The goal is to formulate the inverse problem, in particular the objective function, to find the closest forward distribution (i.e., the output of the stochastic forward problem) that best explains the distribution of the observations in a certain metric. We use proper scoring rules, a concept employed in statistical forecast verification, namely energy, variogram, and hybrid (i.e., combination of the two) scores. We study the performance of the proposed formulation in the context of two applications: a coefficient field inversion for subsurface flow governed by an elliptic partial differential equation with a stochastic source and a parameter inversion for power grid governed by differential-algebraic equations. In both cases we show that the variogram and the hybrid scores produce better parameter inversion results than does the energy score, whereas the energy score leads to better probabilistic predictions.

97 MATHEMATICS AND COMPUTING↗

Galvanostatic Intermittent Titration Technique Reinvented: Part II. Experiments

Following a critical review of the galvanostatic intermittent titration technique in Part I, here we experimentally demonstrate how to extract chemical diffusivity with a modified method. We prepare dense bulk samples that ensure diffusion-limitation. We utilize the scaling with $\sqrt{{t}_{\mathrm{relax}}+\tau }-\sqrt{{t}_{\mathrm{relax}}}$ (trelax: relaxation time; τ: pulse duration), avoiding problems with composition-dependent overpotentials. The equilibrium Nernst voltage is measured separately using small porous particles. This separation between the diffusion measurement and the titration procedure is critical for performing each measurement in a reliable setting. We report the chemical diffusion coefficients of LixNi1/3Mn1/3Co1/3O2 and their activation energy. We extract ionic conductivity and compare it with total conductivity to confirm ion-limitation in chemical diffusion. The measurements suggest that the time scale for diffusion in typical Li-ion battery particles could be much shorter than that of the intercalation/deintercalation processes at the particle surface (Biot number less than 0.1).

25 ENERGY STORAGE↗

High-Q suspended optical resonators in 3C silicon carbide obtained by thermal annealing

We fabricate suspended single-mode optical waveguides and ring resonators in 3C silicon carbide (SiC) that operate at telecommunication wavelength, and leverage post-fabrication thermal annealing to minimize optical propagation losses. Annealed optical resonators yield quality factors of over 41,000, which corresponds to a propagation loss of 7 dB/cm, and is a significant improvement over the 24 dB/cm in the case of the non-annealed chip. This improvement is attributed to the enhancement of SiC crystallinity and a significant reduction of waveguide surface roughness, from 2.4 nm to below 1.7 nm. The latter is attributed to surface layer oxide growth during the annealing step. We confirm that the thermo-optic coefficient, an important parameter governing high-power and temperature-dependent performance of SiC, does not vary with annealing and is comparable to that of bulk SiC. Our annealing-based approach, which is especially suitable for suspended structures, offers a straightforward way to realize high-performance 3C-SiC integrated circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Bayesian inference of structured latent spaces from neural population activity with the orthogonal stochastic linear mixing model

The brain produces diverse functions, from perceiving sounds to producing arm reaches, through the collective activity of populations of many neurons. Determining if and how the features of these exogenous variables (e.g., sound frequency, reach angle) are reflected in population neural activity is important for understanding how the brain operates. Often, high-dimensional neural population activity is confined to low-dimensional latent spaces. However, many current methods fail to extract latent spaces that are clearly structured by exogenous variables. This has contributed to a debate about whether or not brains should be thought of as dynamical systems or representational systems. Here, we developed a new latent process Bayesian regression framework, the orthogonal stochastic linear mixing model (OSLMM) which introduces an orthogonality constraint amongst time-varying mixture coefficients, and provide Markov chain Monte Carlo inference procedures. We demonstrate superior performance of OSLMM on latent trajectory recovery in synthetic experiments and show superior computational efficiency and prediction performance on several real-world benchmark data sets. We primarily focus on demonstrating the utility of OSLMM in two neural data sets: μ ECoG recordings from rat auditory cortex during presentation of pure tones and multi-single unit recordings form monkey motor cortex during complex arm reaching. We show that OSLMM achieves superior or comparable predictive accuracy of neural data and decoding of external variables (e.g., reach velocity). Most importantly, in both experimental contexts, we demonstrate that OSLMM latent trajectories directly reflect features of the sounds and reaches, demonstrating that neural dynamics are structured by neural representations. Together, these results demonstrate that OSLMM will be useful for the analysis of diverse, large-scale biological time-series datasets.

59 BASIC BIOLOGICAL SCIENCES↗

Applying a Compact Porous Media Model to Numerically Derive Resistance Coefficients for Lattice Structures

Additive Manufacturing allows for exploring various geometries to achieve specific engineering criteria. Lattices are one geometry with unique properties, including being periodically repeating structures which allow flow through them to be represented as a porous media according to Darcy-Forchheimer equations. These equation’s coefficients are generally experimentally derived, but this work demonstrates the ability to numerically derive them with CFD. Simulations were performed using three-dimensional stead state Reynolds-averaged Navier-Stokes with a k-ω Shear Stress Transport turbulence model using Ansys Fluent. Three lattice geometries were investigated and drag coefficients were derived. The method was validated against externally published data for similar geometries demonstrating strong agreement, and grid convergence for all simulations was calculated with a Grid Convergence Index method. Wall roughness is demonstrated to have a non-negligible impact on results and roughness values are considered for the primary focus Octahedral geometry where both smooth wall and rough wall coefficients were derived. The porosity coefficients for the Octahedral geometry at 1.0 [m/s] were found to be 2.89×10 6 and 2.90×10 6 [1/(Pa*m*s)] for the permeability coefficients, 6.37×10 1 and 5.44×10 1 [m 2 /kg] for the inertial resistance coefficients, and with a max pressure drop of 5116.7 [Pa] and 4429.5 [Pa] for the smooth walls and rough walls, respectively. The derived numerical method enables rapid exploration and optimization of new lattice designs for diverse engineering applications.

42 ENGINEERING↗

Direct Numerical Simulation of Transitional and Turbulent Flows Over Multi-Scale Surface Roughness—Part II: The Effect of Roughness on the Performance of a High-Pressure Turbine Blade

Abstract Turbine blades generally present surface roughness introduced in the manufacturing process or caused by in-service degradation, which can have a significant impact on aero-thermal performance. A better understanding of the fundamental physical mechanisms arising from the interaction between the roughness and the turbine flow at engine-relevant conditions can provide insights for the design of blades with improved efficiency and longer operational life. To this end, a high-fidelity numerical framework combining a well-validated solver for direct numerical simulation and a second-order accurate immersed boundary method is employed to predict roughness-induced aero-thermal effects on an LS89 high-pressure turbine (HPT) blade at engine-relevant conditions. Different amplitudes and distributions of surface roughness are investigated and a reference smooth-blade simulation under the same flow conditions is conducted for comparison. Roughness of increasing amplitude progressively shifts the blade suction side boundary layer transition upstream, producing larger values of the turbulent kinetic energy and higher total wake losses. The on-surface data-capturing capabilities of the numerical framework provide direct measurements of the heat flux and the skin friction coefficient, hence offering quantitative information between the surface topology and engineering-relevant performance parameters. This work may provide a benchmark for future numerical studies of turbomachinery flows with roughness.

Engineering↗

Thermomagnetic responses of semimetals

Solid-state thermomagnetic modules operating based on the Nernst–Ettingshausen effects are an alternative to conventional solid-state thermoelectric modules. These modules are appropriate for low-temperature applications where the thermoelectric modules are not efficient. Here, we briefly discuss the application, performance, similarities, and differences of thermoelectric and thermomagnetic materials and modules. We review thermomagnetic module design, Nernst coefficient measurement techniques, and theoretical advances, emphasizing the Nernst effect and factors influencing its response in semimetals such as carrier compensation, Fermi surface, mobility, phonon drag, and Berry curvature. The main objective is to summarize the materials design criteria to achieve high thermomagnetic performance to accelerate thermomagnetic materials discovery.

42 ENGINEERING↗

Energy and Comfort Impacts of High Performance Facades in Office Buildings

Building facades have a major effect on energy use, occupant comfort, and well-being. Yet adoption of high-performance facades is often slowed by limited data and unclear cost benefits. To address this gap, Oak Ridge National Laboratory, in collaboration with the Facade Tectonics Institute, conducted whole-building energy simulations to evaluate fenestration technologies for small and medium office buildings across three weather locations: hot (Tampa, Florida, weather zone 2A), mixed (New York, New York, weather zone 4A), and cold (Rochester, Minnesota, weather zone 6A). The simulations included parametric variations in window-to-wall ratio (30%–70%), U-values (0.1–1 Btu/h∙ft 2 ∙°F), solar heat gain coefficients (0.2–0.8), and solar control strategies and devices (e.g., interior shades and switchable glazing). Performance metrics included annual cooling, heating, and total heating, ventilation and air-conditioning (HVAC) energy use intensity, as well as nonenergy factors such as useful daylight illuminance, glare frequency, and thermal comfort during typical office hours (8 a.m.–6 p.m.). Results indicate that cooling energy consumption is most sensitive to solar heat gain coefficient (SHGC) in hot weather, whereas heating energy consumption is strongly influenced by U-value in cold weather. Total HVAC reflects these trade-offs, showing up to 60% difference for a window in total HVAC energy use intensity between different combinations of U-value and SHGC. Daylight dimming generally reduces cooling loads but can increase heating demands in colder locations. Interior solar shades improve useful daylight and reduce discomfort glare, whereas switchable glazing delivers the largest cooling reductions in hot weather but may increase heating loads in winter by limiting passive solar gains. Thermal comfort improves with lower window-to-wall ratios and lower SHGC in hot locations and with lower U-values in cold locations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Predicting Device Parameters for Dye-Sensitized Solar Cells from Electronic Structure Calculations to Reproduce Experiment.

Given that improvements to the power-conversion efficiency (PCE) of dye-sensitized solar cells (DSSCs) have slowed in recent years, a means to accurately predict the device parameters yielded by trial dyes in silico, without having to synthesize them, would be extremely valuable to speed up the design process. Currently, the best-performing methods of calculating device parameters rely on a set of experimentally determined kinetic coefficients. In practice, it is very difficult to measure these kinetic parameters accurately, limiting the overall accuracy of such predictive methods. This work proposes a model to obtain key parameters such as J(SC), V-OC, and PCE using only the results from density functional theory (DFT) and time-dependent DFT calculations, noting that rates of electron-transfer steps are ultimately linked to the electronic structure of the dye center dot center dot center dot TiO2 working electrode. Six organic DSSC dyes from dissimilar chemical classes (L0, L1, L2, WS-2, WS-92, and C281) were chosen to demonstrate the power of this approach. Their a priori known experimentally determined device performance metrics served to validate our predictions. The greatest absolute error in our predicted PCE values was 0.36% relative to the experiment, while the greatest fractional error was 0.042. This indicates that the proposed model offers a dramatic improvement on previous predictive methods for DSSC device parameters, both in accuracy and in consistency. Moreover, such a predictive model has great potential to be applied to other photovoltaic applications, further enabling the design of novel, highly efficient photoactive materials.

density functional theory↗

Assessing Dynamic Time Warping Techniques for Discriminating Seismic Sources at Local and Regional Distances

Effective monitoring of seismic explosions and hazard assessment relies heavily on the accurate discrimination of underground seismic sources. This study investigates the application of novel nonlinear alignment techniques, specifically Dynamic Time Warping (DTW), for event-type discrimination at regional and local distances. Building on prior research that used DTW and Elastic Shape Analysis (ESA) in discrimination at regional distances, we evaluate the performance of recently developed variants of DTW, including a method that employs Pearson cross-correlation as a measure of warping distance and a time distortion coefficient that quantifies the type and degree of time distortion between signals. By analyzing observational datasets that include different source types, we assess the performance of these approaches for realistic monitoring scenarios. Specifically, we consider a dataset recorded at regional distances in the Korean Peninsula and a local-distance subset from the Unconstrained Utah Event Bulletin catalog to evaluate DTW-based discrimination across multiple distance scales. Additionally, we introduce the maximum cross-correlations of warped waveforms as a similarity metric for event classification. Through hierarchical cluster analysis and dendrogram interpretation, we present our findings, highlighting the strengths and limitations of these techniques in seismic event classification.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Numerical simulation of falling film sensible heat transfer over round horizontal tubes

Numerical simulations are performed to explore the heat transfer characteristics of falling films over horizontal round tubes with uniform heat flux imposed for a range of Reynolds numbers spanning the droplet, jet, and sheet regimes. Simulations results agree well with available experimental measurements. The study analyzes the local as well as average heat transfer behavior under the different flow modes. The numerical results show that the local Nusselt number (Nu) distribution depends on the flow features in each mode and varies substantially in all directions for the respective mode. In the droplet mode, the Nu value varies significantly as the droplet impinges and the remnant liquid-bridge retracts (peak instantaneous Nu near 6), followed by wave propagation over the tube surface with peak Nu around 0.25. For the jet modes, the local maximum in the heat transfer occurs off-center to the impingement location with magnitudes of peak Nu = 3.1 for the inline jet mode and Nu = 2.7 for the staggered jet mode, while on the rest of the tube surface, it has an inverse relation with the liquid film thickness. Substantial variations in the heat transfer value are also recorded in the middle of the two impinging jets with Nu = 0.95 in the inline jet mode where the neighboring jets do not interact, and Nu = 0.60 in the crest region of the staggered jet mode where the neighboring jets interact with each other. In the sheet mode, the Nu was seen to depend on the thickness of the liquid waves traversing over the tube surface. Lower Nu values were recorded beneath the crest location of the liquid waves, which increases (1.4–11.6% depending on circumferential location) abruptly in magnitude at the advancing fronts of the waves. The temperature distribution in the liquid film in each of the modes was examined to evaluate the mechanism of heat transfer process. This study also compares the local heat transfer coefficient distribution with the analytical heat transfer models derived to predict heat transfer performance over horizontal tube surfaces.

42 ENGINEERING↗

Machine learning for reactor power monitoring with limited labeled data

Real-time reactor power monitoring is critical for a variety of nuclear applications, spanning safety, security, operations, and maintenance. While machine learning methods have shown promise in monitoring reactor power levels, there is limited research on their efficacy in label-starved environments. The goal of this work is to assess the feasibility of classifying nuclear reactor power level using multisource data in scenarios with limited labels. Data were collected using low-resolution multisensors at four nuclear reactor facilities: two large research reactors and two TRIGA reactors. Within each pair, one reactor dataset served as the source and the other as the target in a transfer learning paradigm. Twenty-three supervised models were trained on labeled sequences of magnetic field and acceleration data from each of the target sites. Self-learning and transfer learning methods were applied to the top performing models to assess their classification performance with increasing amounts of labeled data. While reactor power level classification was achieved with a Matthews Correlation Coefficient of up to 0.739 ± 0.003 and 0.622 ± 0.009 with only 400 sequences per power state for the large research reactor and TRIGA target sites, respectively, self-learning and transfer learning leveraging source site data did not improve target classification performance. These findings suggest that alternative methods, such as higher sensitivity sensors, digital twins, or the use of physics-informed models, are required to enable high-performance classification in machine learning approaches to reactor monitoring with a dearth of target ground truth.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Combining Remotely Sensed Evapotranspiration and an Agroecosystem Model to Estimate Center‐Pivot Irrigation Water Use at High Spatio‐Temporal Resolution

Abstract Estimating irrigation water use accurately is critical for sustainable irrigation and studying terrestrial water cycle in irrigated croplands. However, irrigation is not monitored in most places, and current estimations of irrigation water use has coarse spatial and/or temporal resolutions. This study aims to estimate irrigation water use at the daily and field scale through the proposed model‐data fusion framework, which is achieved by particle filtering with two configurations (concurrent, CON, and sequential, SEQ) by assimilating satellite‐based evapotranspiration (ET) observations into an advanced agroecosystem model, ecosys . Two types of experiments using synthetic and real ET observations were conducted to study the efficacy of the proposed framework for estimating irrigation water use at the irrigated fields in eastern and western Nebraska, United States. The experiments using synthetic ET observations indicated that, for two major sources of uncertainties of ET difference between observations and model simulations, which are bias and noise, noise had larger impacts on degrading the estimation performance of irrigation water use than bias. For the experiments using real ET observations, monthly and annual estimations of irrigation water use matched well with farmer irrigation records, with Pearson correlation coefficient ( r ) around 0.80 and 0.50, respectively. Although detecting daily irrigation records was very challenging, our method still gave a good performance with RMSE, BIAS, and r around 2.90, 0.03, and 0.4 mm/d, respectively. Our proposed model‐data fusion framework for estimating irrigation water use at high spatio‐temporal resolution could contribute to regional water management, sustainable irrigation, and better tracking terrestrial water cycle.

Environmental Sciences & Ecology↗

Volumetrically Absorbing Thermal Insulator (VATI) for High-temperature Receivers

This project seeks to exploit volumetric absorption of concentrated solar irradiation in a thin, high-temperature, thermally conductive medium. High efficiency thermal conversion is achieved by volumetric absorption of both incoming solar irradiation (short wavelength) and emitted irradiation (long wavelength), demonstrating a volumetrically absorbing thermally insulating (VATI) effect. The thermalized energy is conducted to the back wall, enclosing the working fluid (molten salt or supercritical CO 2 ). Reliance on conductive thermal transport requires a thermally conductive medium, in the absence of which large temperature gradients drive losses due to emission. The project’s outcomes are important to realize a cost-effective approach to reduce optical and thermal losses from CSP receivers at high temperatures (720°C). High-temperature stable and commercially available porous SiC structures (open-cell foams) were explored as a volumetrically absorbing and thermally insulating layer. To the best of our knowledge, the current state-of-the-art for industrially deployed coatings is Pyromark. However, Pyromark suffers degradation at 700+°C and diurnal temperature changes. This necessitates periodic recoating, and the downtime increases the overall levelized cost of energy (LCOE) production. On the other hand, contemporary research activities have generated significant advances in the development of selective emitter coatings, which present challenges with costs, scalability, and stability. The pursued approach alleviates these concerns by developing a receiver that utilizes the inherent structure of high-temperature stable porous materials to enable robust and cost-effective receivers which require no periodic maintenance downtimes. The overall goal of the project is to experimentally demonstrate a figure of merit (FOM) of 0.92 at a temperature of 720°C and solar irradiation of 1000x concentration with porous receivers. The relevant crystallographic (phase) optical and thermal properties of porous SiC were first characterized. Second, the 3-D geometry of the porous SiC was analyzed using micro-X-ray tomography and converted to CAD data using image processing analysis. Utilizing this 3-D geometry and relevant optical/thermal properties, Monte Carlo- Ray Tracing (MCRT) analysis was performed to extract important parameters governing solar-thermal energy conversion such as extinction coefficient (β, 1/m), scattering albedo (ω) and the scattering phase function (Φ). These properties were then integrated into an in-house radiative and conduction transport model to solve for temperature and transport fluxes characterizing the solar-thermal energy conversion. This model was utilized to predict the FOM for various SiC porous geometries and to identify the highest possible FOM. Testing of the optimized porous structures will be accomplished with a custom-built high-accuracy (< ±4%) FOM measurement test-stand and a 1000x solar concentrator. When neglecting convective losses and resistance at the open boundary and the back wall, the optimized SiC foam leads to a FOM of 0.84. This FOM does not surpass the performance of Pyromark 2500. Yet, conversely to Pyromark 2500, SiC is stable at high temperatures and does not degrade over time. Also, it is possible to boost the FOM of SiC by engineering its effective thermal conductivity and its scattering albedo. A FOM of 0.92 is predicted for an optimized foam by accounting for convective losses and resistance at the open boundary and the back wall. This largely exceeds the FOM of Pyromark 2500 (~0.86) predicted by neglecting convective losses and resistance. Therefore, further engineering of the foam could lead to unprecedented FOMs.

14 SOLAR ENERGY↗

Impact of high invariant-mass Drell-Yan forward-backward asymmetry measurements on SMEFT fits

We study the impact of LHC forward-backward asymmetry (AFB) measurements at high invariant mass in the Drell-Yan process on probes of semileptonic four-fermion operators in the Standard Model effective field theory (SMEFT). In particular, we study whether AFB measurements can resolve degeneracies in the Wilson coefficient parameter space that appear when considering invariant-mass and rapidity measurements alone. We perform detailed fits of the available high-energy and high-luminosity ATLAS and CMS data for both invariant-mass distributions and AFB. While each type of measurement separately exhibits degeneracies, combining them removes these blind spots in some cases. In other situations, it does not, highlighting the importance of incorporating future datasets from other experiments to fully explore this sector of the SMEFT. We investigate the impact of contributions quadratic in the Wilson coefficients on the description of Drell-Yan data and discuss when such terms are important in joint fits of the AFB and invariant-mass data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mutual Diffusion Coefficients and Refractive Index Increments of K 2 SO 4 (aq) at 298.15 K from Rayleigh Interferometry

Here, isothermal mutual diffusion coefficients (interdiffusion coefficients) were measured for K 2 SO 4 (aq) at 298.15 ± 0.005 K, at numerous concentrations ranging from dilute solutions to near saturation (0.59648 mol∙dm -3 ; 0.61349 mol∙kg -1 ) under free diffusion boundary conditions, using high precision Rayleigh interferometry. Under the experimental conditions these diffusion coefficients are on the volume-fixed reference frame D v . Two series of experiments were performed, the first using the traditional experimental approach with a mercury lamp source and with the interference patterns being recorded on glass photographic plates, and the second with a He-Ne laser light source and computerized data acquisition using a photodiode array. The results from both series of experiments are in excellent agreement, and generally yield diffusion coefficients precise to at least 0.002 x 10 -9 m 2 ∙s 1 (0.15% to 0.19%) and in most cases to 0.001 x 10 -9 m 2 ∙s -1 (0.07% to 0.1%). These experiments also yield accurate values of the refractive index differences for the solution pairs used in the diffusion experiments. The new diffusion coefficients are compared to two sets of published values of diffusion coefficients for K 2 SO 4 (aq) which are somewhat discrepant from each other. This study extends and complements our earlier work on the diffusion coefficients of the most common brine salts: NaCl(aq), KCl(aq), MgCl 2 (aq), CaCl 2 (aq), Na 2 SO 4 (aq), ] MgSO 4 (aq), NaHCO 3 (aq), and KHCO 3 (aq) at 298.15 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗