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DOE OSTI2023

Pore-resolved investigation of turbulent open channel flow over a randomly packed permeable sediment bed

Pore-resolved direct numerical simulations are performed to investigate the interactions between streamflow turbulence and groundwater flow through a randomly packed porous sediment bed for three permeability Reynolds numbers, Re K = 2.56 , 5.17 and 8.94, representative of natural stream or river systems. Time–space averaging is used to quantify the Reynolds stress, form-induced stress, mean flow and shear penetration depths, and mixing length at the sediment–water interface (SWI). Here, the mean flow and shear penetration depths increase with Re K and are found to be nonlinear functions of non-dimensional permeability. The peaks and significant values of the Reynolds stresses, form-induced stresses, and pressure variations are shown to occur in the top layer of the bed, which is also confirmed by conducting simulations of just the top layer as roughness elements over an impermeable wall. The probability distribution functions (p.d.f.s) of normalized local bed stress are found to collapse for all Reynolds numbers, and their root-mean-square fluctuations are assumed to follow logarithmic correlations. The fluctuations in local bed stress and resultant drag and lift forces on sediment grains are mainly a result of the top layer; their p.d.f.s are symmetric with heavy tails, and can be well represented by a non-Gaussian model fit. The bed stress statistics and the pressure data at the SWI potentially can be used in providing better boundary conditions in modelling of incipient motion and reach-scale transport in the hyporheic zone.

turbulence simulation↗

DOE OSTI2019

numericalFunctions

The numericalFunction C library is designed to handle point-wise interpolative data representing a mathematical function. The library currently handles 1-d functions (i.e., functions of the format f(x)). The main object is the ptwXYPoints C struct that holds list of x,y pairs sorted by ascending x-values with an interpolation rule. That is, it contains the 1-d function f(x) = y(x). Functions are included that support common unitary and binary operations (e.g., negation, addition, multiplication). As example, if f(x) and g(x) are two ptwXYPoints instances, then routines to calculate f(x) + g(x) and f(x) * g(x) are included. The library support storage of data with lin-lin, lin-log, log-lin, log-log and flat (or histogram) interpolation. Functions to convert any of the supported interpolation to lin-lin are included. However, many of the binary functions only support lin-lin interpolation. The library also contains a C struct for storing a Legendre series representation of a 1-d function, and functions to convert Legendre series to and from a ptwXYPoints instance. A python interface to the library is included, with the ptwXYPoints C struct treated as a class. This class has many of the standard python math methods (e.g., __add__, __mul__).

Beck, Bret↗

DOE OSTI2021

Changes in Hydrogen Concentration and Defect State Density at the Poly-Si/SiOx/c-Si Interface Due to Firing

We determined the density of defect states of poly-Si/SiOx/c-Si junctions featuring a wet chemical interfacial oxide from lifetime measurements using the MarcoPOLO model to calculate recombination and contact resistance in poly-Si/SiOx/c-Si-junctions. In samples that did not receive any hydrogen treatment, the Dit,cSi is about 2 × 1012 cm-2 eV1 before firing and rises to 3–7 × 1012 cm2 eV1 during firing at measured peak temperatures between 620 °C and 863 °C. To address the question of why AlOx/SiNy stacks in contrast to pure SiNy layers for hydrogenation during firing provides better passivation quality, we have measured the hydrogen concentrations at the poly-Si/SiOx/c-Si interface as a function of AlOx layer thickness and compared these to J0 and calculated Dit,c-Si values. We observe an increase of the hydrogen concentration at the SiOx/c-Si interface upon firing as a function of the firing temperature that exceeds the defect concentrations at the interface several times. However, the AlOx layer thickness appears to cause an increase in hydrogen concentration at the SiOx/c-Si interface in these samples rather than exhibiting a hydrogen blocking property.

41 EE - Solar Energy Technologies Office (EE-4S)↗

DOE OSTI2021

Thermal conductivity tensor of β -1,3,5,7-tetranitro-1,3,5,7-tetrazoctane ( β -HMX) as a function of pressure and temperature

Here, we have used reverse non-equilibrium molecular dynamics (RNEMD) simulations to determine the full thermal conductivity tensor for the monoclinic high explosive crystal β-1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (β-HMX). In order to do so for the monoclinic crystal, four directions for heat propagation are used. Effects of the temperature and pressure are investigated between 200 and 500 K and 0 and 5 GPa, respectively, which approximately covers the range where the β polymorph is stable. Simulations are carried out with the Smith–Bharadwaj non-reactive empirical potential [Smith and Bharadwaj, J. Phys. Chem. B 103, 3570 (1999)], which is known to reproduce well the thermo-elastic properties of HMX. Our results indicate that the thermal conductivity, κ, is highly anisotropic, with 36% difference between the two extreme values at 300 K and 0 GPa. A simple function is used to interpolate κ in the pressure-temperature regime considered in this study, which can be used in continuum models. The results from RNEMD simulations compare well with available experimental results from the literature and allow the determination of κ for any direction and temperature and pressure within or around the fitting interval.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Differential Privacy in Grid Kitchen: Implementation & Software Documentation

Sharing of power grid feeder models faces significant challenges due to the potential risk of exposing sensitive operational information. Traditional anonymization techniques have shown notable limitations in other sensitive domains, as evidenced by documented re-identification attacks that combine supposedly anonymized datasets with auxiliary information, raising concerns that similar vulnerabilities could affect power grid data. Consequently, there is a pressing need for a more rigorous privacy protection strategy that not only delivers formal mathematical guarantees but also preserves the analytical value of the shared models. To address this challenge, we have enhanced the Grid Kitchen framework by implementing differential privacy mechanisms within the distribution model dehydration pipeline. This implementation carefully calibrates and applies noise to sensitive attributes in feeder models according to configurable privacy levels—low, moderate, and high—each offering different balances between data utility and privacy protection. Our approach uses established noise functions (Gaussian for continuous data and Discrete Laplace for integer values) with parameters carefully calibrated so that the impact of individual data points is effectively masked in the final output. The integration leverages our Noise Catalog, which we developed to categorize feeder model properties by component type, data type, and sensitivity. This catalog guides the application of appropriate noise functions and privacy parameters ($\varepsilon$ and $\delta$) to each attribute, ensuring consistent privacy protection across the model while maintaining its structural integrity and analytical usefulness. This implementation also includes evaluation tools that allow model owners to assess the impact of privacy-preserving transformations before sharing data with external parties. This report provides documentation for the differential privacy capabilities added to the Grid Kitchen project. It includes a primer on differential privacy concepts and their importance in modern data sharing, details the architecture of our implementation, explains the privacy modes and parameter configurations, and offers practical guidance on using the code for applying differential privacy to grid feeder models. Through examples and code snippets, we demonstrate the effective application of these privacy-enhancing technologies, enabling utility operators and researchers to confidently share grid data while protecting sensitive information.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Dominant effect of anharmonicity on the equation of state and thermal conductivity of MgO under extreme conditions

Understanding heat transfer in the earth mantle region is of great scientific interest but highly challenging due to dissimilar conditions from our daily lives. Thermal conductivity of highly pressured and thermally activated materials can be completely different from that at ambient condition. In this study we calculate the equation of state and thermal conductivity of cubic crystalline MgO, a major component of the mantle, in such an environment. It is shown that the material properties are not accurately captured unless rigorous treatment of anharmonicity of phonon vibrational motion is explicitly applied. To predict renormalized phonon dispersion relations, interatomic force constants of high-order expansion are required, especially at elevated temperature. The anharmonicity plays an increasingly substantial role for regulating volume expansion as temperature rises, because the Gibbs free energy of MgO considerably deviates from what was predicted by the quasiharmonic approximation. We find that the lattice thermal conductivity of MgO and the heat transfer of the earth's mantle are reliably estimated only when both the temperature-dependent renormalization of phonon frequencies and four-phonon scattering effects are taken into consideration. We map the characteristics at Geotherm into contour diagrams in which equilibrium volumes and the thermal conductivities are described as functions of temperature and pressure. Furthermore, the thermal conductivity values of MgO in this study are smaller than those in previous theoretical studies due to the additional incorporation of four-phonon scatterings in the calculations. Specifically, deviation between the values in previous studies and in this study becomes larger as thermodynamic variables reach those near the core-mantle boundary. For instance, thermal conductivities of 52.15 and 23.67 Wm -1 K -1 are estimated at ambient and extreme conditions (T = 4000K and P = 135 GPa), respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Enhanced Magnetoresistance in In-Plane Monolayer MoS{sub 2} with CrO{sub 2} Electrodes

Magnetoresistance of monolayer MoS{sub 2} is reported to increase when used in in-plane configuration with CrO{sub 2} half-metal ferromagnet (HMF) electrodes. Density functional theory (DFT)- and non-equilibrium Green’s function (NEGF)-based simulations show that high magnetoresistance (MR) values of ∼860% can be achieved in in-plane monolayer MoS{sub 2} with CrO{sub 2} electrodes, which is much higher than the MR value of ∼300% for nine-layer and the MR value of ∼70% for single-layer out-of-plane MoS{sub 2} reported in Dolui et al., Phys. Rev. B 90(R), 041401 (2014) past by other researchers. High spin-injection efficiency ∼100% is also obtained at high bias voltages. High MR and perfect spin filtration suggests the importance of this configuration in spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

SPRUCE Soil Volumetric Water Content in Experimental Plots, Marcell Experimental Forest, Minnesota, 2017-2025

This dataset contains soil volumetric water content (VWC) measurements from the Spruce and Peatland Responses Under Changing Environments (SPRUCE) Experiment. Measurements were made inside SPRUCE experimental plots in the S1 Bog at the US Forest Service Marcell Experimental Forest in northern Minnesota, USA from 2018-2025 (2018-06-14 to 2025-12-31). Observations were made with METER 10HS soil moisture sensors. To reduce bulk density related variability, 10HS sensors were placed inside mesh tubes filled with peat at a standard bulk density. The observations under standard bulk density represent relative differences in water content between hummock and hollow positions, and in response to experimental treatments. Productivity of peatlands, and their keystone species sphagnum, are highly dependent on water availability, which is affected by lateral inputs, precipitation, ground water depth and evapotranspiration. Knowledge of near surface and sphagnum water content is useful to understand peatland function. This dataset contains 8 data files in comma-separate values (.csv) format. Additional metadata are provided: one data dictionary and a file-level metadata file in comma-separate values (*.csv) format and a user guide in PDF (*.pdf) format.

Warren, Jeffrey [ORNL] (ORCID:0000000206804697)↗

DOE OSTI2024

pvplr-python: Python package implementation of PVplr for Performance Loss Rate (PLR) analysis

Due to software fragmentation, PV system modeling teams can be limited to language specific packages, preventing cross-sectional analysis of different modeling techniques and workflows. To this end, PVplr, a popular PV performance modeling R software package, has been ported to the Python programming language. To verify and test the robustness of the port, NSRDB data has been used to simulated PV installations at native resolution (~2 million Sites), with a variety of degradation rates, degradation patterns, and modules. Performance Ratios were calculated using the ported functions from pvplr-python and compared against Rdtools YoY values. Due to the complicated nature of degradation, a new metric has been proposed to quantify the performance loss of a system. The cumulative production loss, is the total amount of energy lost due to the degrading performance of the system. Cumulative production loss alleviates the problems with fitting linear functions to non-linear degradation. Cumulative Production loss was shown to better estimate the total lost revenue for non-linear degradation patterns. $XbX + UTC$ was found to most accurately predict the total lost revenue in simulated systems.

Kumar, Suraj↗

DOE OSTI2025

Optimal intrinsic alignment estimators in the presence of redshift-space distortions

We present estimators for quantifying intrinsic alignments in large spectroscopic surveys that efficiently capture line-of-sight (LOS) information while being relatively insensitive to redshift-space distortions (RSD). We demonstrate that changing the LOS integration range, pimax, as a function of transverse separation outperforms the conventional choice of a single pimax value. This is further improved by replacing the flat pimax cut with a LOS weighting based on shape projection and RSD. Although these estimators incorporate additional LOS information, they are projected correlations that exhibit signal-to-noise ratios comparable to 3D correlation functions, such as the IA quadrupole. Using simulations from Abacus Summit, we evaluate these estimators and provide recommended pimax values and weights for projected separations of 1 - 100 Mpc/h. These will improve measurements of intrinsic alignments in large cosmological surveys and the constraints they provide for both weak lensing and direct cosmological applications.

cosmology↗

DOE OSTI2023

Revisiting the definition of field capacity as a functional parameter in a layered agronomic soil profile beneath irrigated maize

The soil water content at the condition of field capacity (θ FC ) is a key parameter in irrigation scheduling and has been suggested to be determined by running a synthetic drainage experiment until the flux rate (q) at the bottom of the soil profile achieves a predefined negligible value (q FC ). We question the impact of q FC on the assessment of field capacity. Moreover, calculating θ FC as the integral mean of the water content profile when q is equal to q FC is strictly valid only for uniform soil profiles. By contrast, this practice is ambiguous and biased for stratified soil profiles due to the soil water content discontinuity at the layer interfaces. In this study, the concept of field capacity was revisited and adapted to practical agronomic heuristics. By resorting to the assessment of root-zone water storage capacity (W), we envision field capacity as a functional hydraulic parameter derived from synthetic irrigation scheduling scenarios to minimize drought stress, drainage, and nitrate leachate below the root zone. A functional analysis was carried out on a 135-cm-thick layered soil profile beneath maize in eastern Nebraska. On-farm irrigation scheduling applications and agricultural practices were recorded for 20 years (2001–2020) at a daily time step. Hydrus-1D was calibrated and validated with direct measurements of the soil water retention curve and soil water content data, respectively, in each soil layer. A set of functional field capacity values was derived from 24 irrigation scheduling scenarios, and the optimal water storage capacity at field capacity (W FC ) was approximately 50 cm (corresponding to about 80% saturation in the soil profile). An average irrigation amount of 217.5 mm distributed over 21 events was obtained by using optimal irrigation scheduling, which was initiated when the matric pressure head took on a value of –700 cm and the irrigation rate was set at 1.0 cm d –1 . This irrigation practice ensured water storage at approximately the same level (ideally at W FC ) by sustaining only evapotranspiration fluxes in the uppermost portion of the root zone and by limiting excessive drainage. This protocol can be transferred to other agricultural fields.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Effects of Improved 17 O Correction on Interlaboratory Agreement in Clumped Isotope Calibrations, Estimates of Mineral-Specific Offsets, and Temperature Dependence of Acid Digestion Fractionation

The clumped isotopic composition of carbonate-CO 2 (denoted Δ 47 ) is a function of carbonate formation temperature and in natural samples can act as a recorder of paleoclimate, burial, or diagenetic conditions. The absolute abundance of heavy isotopes in the universal standards VPDB and VSMOW (defined by four parameters: R 13 VPDB , R 17 VSMOW , R 18 VSMOW , and λ ) impact calculated Δ 47 values. In this work, we investigate whether use of updated and more accurate values for these parameters can remove observed interlaboratory differences in the measured T-Δ 47 relationship. Using the updated parameters, we reprocess 14 published calibration data sets measured in 11 different laboratories, representing many mineralogies, bulk compositions, sample types, reaction temperatures, and sample preparation and analysis methods. Exploiting this large composite data set ( n = 1,253 sample replicates), we investigate the possibility for a “universal” clumped isotope calibration. We find that applying updated parameters improves the T-Δ 47 relationship (reduces residuals) within most labs and improves overall agreement but does not eliminate all interlaboratory differences. We reaffirm earlier findings that different mineralogies do not require different calibration equations and that cleaning procedures, method of pressure baseline correction, and mass spectrometer type do not affect interlaboratory agreement. We also present new estimates of the temperature dependence of the acid digestion fractionation for Δ 47 (Δ* 25-X ), based on combining reprocessed data from four studies, and new theoretical equilibrium values to be used in calculation of the empirical transfer function. Overall, we have ruled out a number of possible causes of interlaboratory disagreement in the T-Δ 47 relationship, but many more remain to be investigated.

58 GEOSCIENCES↗

DOE OSTI2024

Fractional Statistics

The quantum-mechanical description of assemblies of particles whose motion is confined to two (or one) spatial dimensions offers many possibilities that are distinct from bosons and fermions. We call such particles anyons. The simplest anyons are parameterized by an angular phase parameter θ. θ = 0, π correspond to bosons and fermions, respectively; at intermediate values, we say that we have fractional statistics. In two dimensions, θ describes the phase acquired by the wave function as two anyons wind around one another counterclockwise. It generates a shift in the allowed values for the relative angular momentum. Composites of localized electric charge and magnetic flux associated with an abelian U(1) gauge group realize this behavior. More complex charge-flux constructions can involve nonabelian and product groups acting on a spectrum of allowed charges and fluxes, giving rise to nonabelian and mutual statistics. Interchanges of nonabelian anyons implement unitary transformations of the wave function within an emergent space of internal states. Anyons of all kinds are described by quantum field theories that include Chern–Simons terms. The crossings of one-dimensional anyons on a ring are unidirectional, such that a fractional phase θ acquired upon interchange gives rise to fractional shifts in the relative momenta between the anyons. The quasiparticle excitations of fractional quantum Hall states have long been predicted to include anyons. Recently, the anyon behavior predicted for quasiparticles in the ν = 1/3 fractional quantum Hall state has been observed in both scattering and interferometric experiments. Excitations within designed systems, notably including superconducting circuits, can exhibit anyon behavior. Such systems are being developed for possible use in quantum information processing.

Physics↗

DOE OSTI2023

Shape polarization in the tin isotopes near N = 60 from precision g-factor measurements on short-lived 11/2 - isomers

The g factors of 11/2 - isomers in semimagic 109 Sn and 111 Sn (isomeric lifetimes $\tau$ = 2.9(3) ns and $\tau$ = 14.4(7) ns, respectively) were measured by an extension of the Time Differential Perturbed Angular Distribution technique, which uses LaBr3 detectors and the hyperfine fields of a gadolinium host to achieve precise measurements in a new regime of short-lived isomers. The results, g(11/2 - ; 109 Sn) = -0.186(8) and g(11/2 - ; 111 Sn) = -0.214(4), are significantly lower in magnitude than those of the 11/2 - isomers in the heavier isotopes and depart from the value expected for a near pure neutron h 11/2 configuration. Broken-symmetry density functional theory calculations applied to the sequence of 11/2 - states reproduce the magnitude and location of this deviation. The g(11/2 - ) values are affected by shape core polarization; the odd Oh 11/2 neutron couples to J π = 2 + , 4 + , 6 + ... configurations in the weakly-deformed effective core, causing a decrease in the g-factor magnitudes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Moduli axions, stabilizing moduli, and the large field swampland conjecture in heterotic M-theory

We compute the F- and D-term potential energy for the dilaton, complex structure, and Kähler moduli of realistic vacua of heterotic M-theory compactified on Calabi-Yau threefolds where, for simplicity, we choose ℎ 1,1 = ℎ 2,1 = 1. However, the formalism is immediately applicable to the “universal” moduli of Calabi-Yau threefolds with ℎ 1,1 = ℎ 1,2 > 1 as well. The F-term potential is computed using the nonperturbative complex structure, gaugino condensate and “world sheet instanton” superpotentials in theories in which the hidden sector contains an anomalous U⁡(1) structure group. The Green-Schwarz anomaly cancellation induces inhomogeneous “axion” transformations for the imaginary components of the dilaton and Kähler modulus—which then produce a D-term potential. V D is a function of the real components of the dilaton and Kähler modulus (s and t) that is minimized and precisely vanishes along a unique line in the s–t plane. Excitations transverse to this line have a mass m anom which is an explicit function of t. The F-term potential energy is then evaluated along the V D = 0 line. For values of t small enough that m anom ≳ M U —where M U is the compactification scale—we plot V F for a realistic choice of coefficients as a function of the Pfaffian parameter p. We find values of p for which V F has a global minimum at negative or zero vacuum density or a metastable minimum with positive vacuum density. In all three cases, the s, t, and associated “axion” moduli are completely stabilized. Finally, we show that, for any of these vacua, the large t behavior of the potential energy satisfies the “large scalar field” Swampland conjecture.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Benchmarking and parameter sensitivity of physiological and vegetation dynamics using the Functionally Assembled Terrestrial Ecosystem Simulator (FATES) at Barro Colorado Island, Panama

Plant functional traits determine vegetation responses to environmental variation, but variation in trait values is large, even within a single site. Likewise, uncertainty in how these traits map to Earth system feedbacks is large. We use a vegetation demographic model (VDM), the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), to explore parameter sensitivity of model predictions, and comparison to observations, at a tropical forest site: Barro Colorado Island in Panama. We define a single 12-dimensional distribution of plant trait variation, derived primarily from observations in Panama, and define plant functional types (PFTs) as random draws from this distribution. We compare several model ensembles, where individual ensemble members vary only in the plant traits that define PFTs, and separate ensembles differ from each other based on either model structural assumptions or non-trait, ecosystem-level parameters, which include (a) the number of competing PFTs present in any simulation and (b) parameters that govern disturbance and height-based light competition. While single-PFT simulations are roughly consistent with observations of productivity at Barro Colorado Island, increasing the number of competing PFTs strongly shifts model predictions towards higher productivity and biomass forests. Different ecosystem variables show greater sensitivity than others to the number of competing PFTs, with the predictions that are most dominated by large trees, such as biomass, being the most sensitive. Changing disturbance and height-sorting parameters, i.e., the rules of competitive trait filtering, shifts regimes of dominance or coexistence between early- and late-successional PFTs in the model. Increases to the extent or severity of disturbance, or to the degree of determinism in height-based light competition, all act to shift the community towards early-successional PFTs. In turn, these shifts in competitive outcomes alter predictions of ecosystem states and fluxes, with more early-successional-dominated forests having lower biomass. It is thus crucial to differentiate between plant traits, which are under competitive pressure in VDMs, from those model parameters that are not and to better understand the relationships between these two types of model parameters to quantify sources of uncertainty in VDMs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

A benchmark photoelectron spectroscopic and theoretical study of the electronic stability of [B12H12]2-

We report a joint benchmark study on the electronic stability of closo-dodecaborate [B12H12]2- employing negative ion photoelectron spectroscopy and high level electronic structure methods. The photoelectron spectra of [B12H12]2-, measured at 266, 193 and 157 nm, yield the Adiabatic and Vertical Detachment Energies (ADE and VDE) of this dianion at 0.93 ± 0.05 eV and 1.15 ± 0.05 eV, respectively, along with a ~ 3 eV Repulsive Coulomb Barrier (RCB) against electron detachment. Theoretical calculations at various levels of electronic structure theory confirm the high stability of this dianion. The ADE and VDE values calculated at the CCSD(T)/aug-cc-PVQZ level are 0.92, and 1.16 eV, in excellent agreement with the experimental benchmark values. The comparison between the experimental and the theoretical values obtained at different levels of theory indicate that the PBE0 density functional represents a cost-effective method of sufficient accuracy to describe the molecular properties of this dianion and associated compounds. The theoretical RCB was modelled after the electrostatic potential (ESP) and point charge method (PCM) along three different detachment pathways, viz. along the B-H bond, perpendicular to a B-B bond, and normal to a B-B-B triangle. It was found that detachment of the electron along the B-H bond is preferred, as this pathway is associated with RCBs between 2.3 eV (PCM) and 3.3 eV (ESP), values that bracket the experimental estimate of ~ 3 eV.

Apra, Edoardo↗

DOE OSTI2025

Machine-learning-informed scattering correlation analysis of sheared colloids

We have carried out theoretical analysis, Monte Carlo simulations and machine-learning analysis to quantify microscopic rearrangements of dilute dispersions of spherical colloidal particles from coherent scattering intensity. Both monodisperse and polydisperse dispersions of colloids were created and underwent a rearrangement consisting of an affine simple shear and non-affine rearrangement using the Monte Carlo method. We calculated the coherent scattering intensity of the dispersions and the correlation function of intensity before and after the rearrangement and generated a large data set of angular correlation functions for varying system parameters, including number density, polydispersity, shear strain and non-affine rearrangement. Singular value decomposition of the data set shows the feasibility of machine-learning inversion from the correlation function for the polydispersity, shear strain and non-affine rearrangement using only three parameters. A Gaussian process regressor is then trained on the data set and can retrieve the affine shear strain, non-affine rearrangement and polydispersity with relative errors of 3%, 1% and 6%, respectively. Altogether, our model provides a framework for quantitative studies of both steady and non-steady microscopic dynamics of colloidal dispersions using coherent scattering methods.

Gaussian process regression↗