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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Data-Driven Discovery and Experimental Validation of Solvent Polarity Effects on Conjugated Polymer Solution-to-Film Assembly Pathways

Understanding how solvent properties influence the solution-to-film assembly of conjugated polymers remains a critical challenge due to the complex and intertwined nature of polymer–solvent interactions. In this study, we integrate a data-driven framework with experimental validation to identify key parameters influencing the assembly and performance of poly[2,5-(2-octyldodecyl)-3,6-diketopyrrolopyrrole-alt-5,5-(2,5-di(thien-2-yl)thieno[3,2-b]thiophene)] (DPP-DTT) in organic field-effect transistors (OFETs). A machine learning (ML) approach identified the normalized Reichardt polarity parameter (E T N ) as a significant descriptor correlated with DPP-DTT hole mobility (μ). Systematic DPP-DTT devices fabricated using solvents across a wide E T N range revealed that higher E T N solvents yield enhanced μ. To elucidate the structural origins of high μ, we conducted comprehensive analyses using UV–vis–NIR spectroscopy and grazing incidence wide angle X-ray scattering (GIWAXS) measurements. The results revealed that films processed from high E T N solvents exhibit reduced paracrystallinity. By analyzing the solution-state behavior using optical microscopy and solution WAXS, we revealed polymer solubility differences in the various solvents and associated distinct polymer assembly pathways, elucidating why the high E T N solvent produces long-range ordered films. Notably, the high E T N solvent shows a pronounced preference for liquid-crystal (LC)-mediated assembly, providing a mechanistic explanation for the enhanced structural order. Therefore, these results demonstrate that solvent polarity, as evaluated by E T N , serves as an important parameter that plays a significant role in the DPP-DTT assembly pathway and resultant solid-state morphology. This work provides a strategy for integrating data science with experiments to identify critical parameters associated with complex polymer systems and helps guide rational process design for high-performance organic electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Statistical Characteristics of Raindrop Size Distributions and Parameters in Central China during the Meiyu Seasons

The rain parameters measured by the laser OTT Parsivel raindrop disdrometer (Parsivel), the two-dimensional video disdrometer (2DVD) and DZZ5 tipping-bucket rain gauge (RG) during the Integrative Monsoon Frontal Rainfall Experiment (IMFRE) in summer 2018 are compared. The total rain amounts observed by Parsivel, 2DVD, and RG during IMFRE are 178.07 mm, 176.76 mm and 182.5 mm, while their total rainy hours are 113, 113 and 90. The mean Dm (mass-weighted mean diameter) and liquid water content values derived from Parsivel and 2DVD are 0.9 mm and 1.02 mm, and 0.247 g m-3 and 0.223 g m-3, respectively, and Parsivel is more sensitive to small raindrops (< 1 mm) than 2DVD. The raindrop spectra measured by Parsivel and 2DVD have excellent agreement for both convective rain (CR) and stratiform rain (SR) within a range of Dm from 1 to 3.5 mm. The rain samples from six Parsivel sites over the middle reaches of the Yangtze River during the 2016–2018 meiyu seasons have been collected and processed. The frequency occurrences for rain rates (RR) < 5 and > 10 mm h-1 are 83.9% and 7.4%, respectively, but they contribute 30.5% and 52.1 % of the total accumulated rainfall. Comparing the results with those over the lower reaches, the RR and total accumulated rainfall over the middle reaches are greater, especially for heavy rainfall. The rain drop size distributions (DSDs) in this study are wider and have higher number concentration than those from the lower reaches.

Raindrop size distribution, Meiyu front, disdromet↗
DOE OSTI2026

A ModEx Framework for Watershed Subsurface Investigation With Limited Geophysical Data Using Machine Learning and Hydrologic Modeling

Abstract Subsurface heterogeneity influences watershed hydrology strongly but remains difficult to characterize at catchment scales with sparse and costly field data. Geophysical surveys such as electromagnetic induction (EMI) provide local spatial subsurface images yet scaling them to watershed scales and converting EMI‐derived resistivity into hydraulic properties remains a challenge. We present a Model–Experiment (ModEx) framework that integrates limited EMI data with machine learning (ML) and hydrologic modeling to improve process representation and guide field investigations. Sparse EMI surveys were scaled to the catchment scale using a Random Forest model, and the resulting resistivity fields were combined with nearby borehole constraints to parameterize a hydrologic model. The EMI‐informed hydrological simulations improved predictions of streamflow sustained by subsurface flow and shallow saturation patterns. By combining EMI data and ML with hydrologic modeling, the ModEx framework guides future subsurface surveys, providing a transferable and efficient strategy for data–model integration across diverse watersheds. Plain Language Summary Mapping the underground network of soil and rock that controls water is essential for predicting floods and droughts, but seeing underground is difficult and expensive. We cannot drill everywhere, so scientists use geophysical tools to scan broad areas. There are two key challenges: these geophysical scans are often sparse across the whole watershed, and the geophysical data is hard to translate into water‐related properties. We used artificial intelligence to solve these problems. We taught a computer to find patterns linking the limited geophysical data to the land surface properties. This allowed it to fill in the gaps and create a complete, useful subsurface map for the entire watershed. This new map improves hydrologic simulations, leading to more accurate predictions of water movement in the watershed. It also helps scientists build better models with less data and generates a priority map showing where to measure next, making future investigations more efficient. Key Points Limited EMI scaled with ML improves catchment‐scale subsurface parameterization for hydrologic models The framework integrates hydrologic modeling with limited geophysical data to support subsurface investigation design ModEx framework offers a transferable data–model integration strategy that quantifies and reduces uncertainty guiding watershed studies

Chen, Hang↗
DOE OSTI2026

Complex Electrical Conductivity of a Single‐Fractured Rock: Fracture‐and‐Matrix Coupling Mechanism and Aperture Size Predictions

Fractured rocks play a crucial role in myriad natural and engineered systems, including Earth's critical zone, oil/gas/geothermal reservoirs, and geological CO 2 /H 2 /waste storage systems. While complex electrical conductivity is extensively used to estimate the pore and grain sizes of conventional porous rocks and soils, it is rarely used to predict the aperture size of fractured rocks and this remains poorly understood. Here, integrating theory, simulations, and experiments, we show that under external fields, fractured rocks follow the fracture-and-matrix coupling to make the bulk complex conductivity non-linear with respect to water conductivity. We find that the relaxation time and quadrature conductivity for porous media do not apply to fractured rocks, but, instead, reasonably accurate predictions of aperture size can be made based on the true formation factor. This study unravels the fundamental mechanism governing conduction and polarization of fractured rocks and paves the way for the non-invasive investigation of global fractured rocks.

58 GEOSCIENCES↗
DOE OSTI2021

Dissociated prismatic loop punching by bubble growth in FCC metals

Abstract Materials performance can be significantly degraded due to bubble generation. In this work, the bubble growth process is elaborated in Cu by atomistic modeling to bridge the gap of experimental observations. Upon continuous He implantation, bubble growth is accommodated first by nucleation of dislocation network from bubble surface, then formation of dissociated prismatic dislocation loop (DPDL), and final DPDL emission in $$\langle 110\rangle$$ ⟨ 110 ⟩ directions. As the DPDL is found capable of collecting He atoms, this process is likely to assist the formation of self-organized bubble superlattice, which has been reported from experiments. Moreover, the pressurized bubble in solid state manifests the shape of an imperfect octahedron, built by Cu $$\{111\}$$ { 111 } surfaces, consistent with experiments. These atomistic details integrating experimental work fill the gap of mechanistic understanding of athermal bubble growth in Cu. Importantly, by associating with nanoindentation testings, DPDL punching by bubble growth arguably applies to various FCC (face-centered cubic) metals such as Au, Ag, Ni, and Al.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Automated scanning probe microscopy of combinatorial ferroelectric libraries: Gaussian-process-guided exploration and noise-aware experiment planning

Combinatorial materials libraries provide an efficient route for mapping composition–property relationships, but their broader impact depends on rapid, quantitative, and functionally relevant characterization. Scanning Probe Microscopy (SPM), including piezoresponse force microscopy (PFM), offers significant potential for quantitative, functionally relevant combi-library readouts. Here, we implement a fully automated SPM workflow for ferroelectric combinatorial libraries and benchmark Gaussian-process-based Bayesian optimization strategies for autonomous experiment planning. The workflow integrates automated probe motion, contact optimization, imaging, and dual amplitude resonance tracking-PFM spectroscopy, and uses scalarized spectroscopic observables to guide subsequent measurements. Stage motion, probe engagement, in-contact tuning, imaging, spectroscopy, and the choice of the next measurement location all proceed without human input. We demonstrate the approach on Sm-doped BiFeO 3 and Zn x Mg 1−x O libraries. By comparing vanilla Bayesian optimization with a measured-noise variant, we show that explicit treatment of local reproducibility can improve modeling of composition-dependent response when the measured variance is physically meaningful, but can also reduce robustness when variability is dominated by outliers or topographic artifacts. Furthermore, these results establish automated SPM as a bridge between combinatorial synthesis and quantitative functional characterization.

Liu, Yu [University of Tennessee, Knoxville, TN (U↗
DOE OSTI2021

Conceptual Design for a Blanket Tritium Extraction Test Stand

Future fusion reactors must be able to breed the tritium they will consume. Several breeding and tritium extraction technologies are under investigation internationally. PbLi is of particular interest as a breeder material. A new forced convection PbLi loop, the Tritium Extraction eXperiment (TEX), is being designed and constructed to investigate tritium extraction from PbLi. Specifically, TEX will serve to investigate the extraction efficiency of various vacuum permeator membranes and configurations. The major components of the loop include a moving magnet pump, reverse permeator, furnace test section, analysis chamber, supply tank, and plenum. As significant hazards are present in such experiments, safety is an integral focus of the experimental design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Search for Associated Production of a Higgs Boson and Two Vector Bosons via Vector-Boson Scattering at s = 13 TeV

A search for Higgs boson ( H ) production in association with two vector bosons ( V = W , Z ) via vector-boson scattering (VBS) is presented using proton-proton collision data collected at s = 13 TeV by the CMS experiment, corresponding to an integrated luminosity of 138 fb - 1 . Events containing two forward jets consistent with VBS, a large-radius jet from the decay of a boosted H to a pair of b quarks, and zero, one, or two charged leptons coming from V decays are selected. The process is excluded at 95% confidence level for observed (expected) values of the V V H H coupling modifier κ 2 V outside the interval 0.40 < κ 2 V < 1.60 ( 0.34 < κ 2 V < 1.66 ), assuming standard model values for all other couplings, thus establishing a novel probe of the V V H H interaction. Constraints are also set on the individual κ 2 W and κ 2 Z coupling modifiers and on the allowed region in the κ 2 W - κ 2 Z plane.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗
DOE OSTI2023

Observation of sizeable ω contribution to χ c 1 ( 3872 ) → π + π - J / ψ decays

Resonant structures in the dipion mass spectrum from $χ$ c1 (3872) → π + π - J/ψ decays, produced via B + → K + $χ$ c1 (3872) decays, are analyzed using proton-proton collision data collected by the LHCb experiment, corresponding to an integrated luminosity of 9 fb -1 . A sizeable contribution from the isospin conserving $χ$ c1 (3872) → ωJ/ψ decay is established for the first time, (21.4 ± 2.3 ± 2.0)%, with a significance of more than 7.1σ. The amplitude of isospin violating decay, $χ$ c1 (3872) → ρ 0 J/ψ, relative to isospin conserving decay, $χ$ c1 (3872) → ωJ/ψ, is properly determined, and it is a factor of 6 larger than expected for a pure charmonium state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for stealth supersymmetry in final states with two photons, jets, and low missing transverse momentum in proton-proton collisions at s = 13 TeV

The results of a search for stealth supersymmetry in final states with two photons and jets, targeting a phase space region with low missing transverse momentum ( p T miss ), are reported. The study is based on a sample of proton-proton collisions at s = 13 TeV collected by the CMS experiment, corresponding to an integrated luminosity of 138 fb - 1 . As LHC results continue to constrain the parameter space of the minimal supersymmetric standard model, the low p T miss regime is increasingly valuable to explore. To estimate the backgrounds due to standard model processes in such events, we apply corrections derived from simulation to an estimate based on a control selection in data. The results are interpreted in the context of simplified stealth supersymmetry models with gluino and squark pair production. The observed data are consistent with the standard model predictions, and gluino (squark) masses of up to 2150 (1850) GeV are excluded at the 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for the rare decay of charmed baryon Λ c + into the p μ + μ − final state

A search for the nonresonant Λ c + → p μ + μ − decay is performed using proton-proton collision data recorded at a center-of-mass energy of 13 TeV by the LHCb experiment, corresponding to an integrated luminosity of 5.4 fb − 1 . No evidence for the decay is found in the dimuon invariant-mass regions where the expected contributions of resonances is subdominant. The upper limit on the branching fraction of the Λ c + → p μ + μ − decay is determined to be 2.9 ( 3.2 ) × 10 − 8 at 90 % ( 95 % ) confidence level. The branching fractions in the dimuon invariant-mass regions dominated by the η , ρ and ω resonances are also determined. © 2024 CERN, for the LHCb Collaboration 2024 CERN

Aaij, R. (ORCID:0000000305331952)↗
DOE OSTI2024

Measurements of polarization and spin correlation and observation of entanglement in top quark pairs using lepton + jets events from proton-proton collisions at $\sqrt{𝑠}$ = 13 TeV

Measurements of the polarization and spin correlation in top quark pairs ($t\bar{t}$) are presented using events with a single electron or muon and jets in the final state. The measurements are based on proton-proton collision data from the LHC at $\sqrt{𝑠}$ =13 TeV collected by the CMS experiment, corresponding to an integrated luminosity of 138 fb −1 . All coefficients of the polarization vectors and the spin correlation matrix are extracted simultaneously by performing a binned likelihood fit to the data. The measurement is performed inclusively and in bins of additional observables, such as the mass of the $t\bar{t}$ system and the top quark scattering angle in the $t\bar{t}$ rest frame. The measured polarization and spin correlation are in agreement with the standard model. From the measured spin correlation, conclusions on the $t\bar{t}$ spin entanglement are drawn by applying the Peres-Horodecki criterion. The standard model predicts entangled spins for $t\bar{t}$ states at the production threshold and at high masses of the $t\bar{t}$ system. Entanglement is observed for the first time in events at high $t\bar{t}$ mass, where a large fraction of the $t\bar{t}$ decays are spacelike separated, with an expected and observed significance of above 5 standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Measurement of the Higgs boson mass and width using the four-lepton final state in proton-proton collisions at $\sqrt{s}$ =13 TeV

A measurement of the Higgs boson mass and width via its decay to two 𝑍 bosons is presented. Proton-proton collision data collected by the CMS experiment, corresponding to an integrated luminosity of 138 fb −1 at a center-of-mass energy of 13 TeV, is used. The invariant mass distribution of four leptons in the on-shell Higgs boson decay is used to measure its mass and constrain its width. This yields the most precise single measurement of the Higgs boson mass to date, 125.04 ± 0.12 GeV, and an upper limit on the width Γ 𝐻 < 330 MeV at 95% confidence level. A combination of the on- and off-shell Higgs boson production decaying to four leptons is used to determine the Higgs boson width, assuming that no new virtual particles affect the production, a premise that is tested by adding new heavy particles in the gluon fusion loop model. This result is combined with a previous CMS analysis of the off-shell Higgs boson production with decay to two leptons and two neutrinos, giving a measured Higgs boson width of 3.0$^{+2.0}_{−1.5}$ MeV, in agreement with the standard model prediction of 4.1 MeV. The strength of the off-shell Higgs boson production is also reported. The scenario of no off-shell Higgs boson production is excluded at a confidence level corresponding to 3.8 standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for Higgs Boson Decay to a Charm Quark-Antiquark Pair in Proton-Proton Collisions at s = 13 TeV

A search for the standard model Higgs boson decaying to a charm quark-antiquark pair, $H → c\bar{c}$, produced in association with a leptonically decaying $V (W \text{or} Z)$ boson is presented. The search is performed with proton-proton collisions at $\sqrt{s}=13\,\text {TeV}$ collected by the CMS experiment, corresponding to an integrated luminosity of 138 fb -1 . Novel charm jet identification and analysis methods using machine learning techniques are employed. The analysis is validated by searching for $Z → c\bar{c}$ in $VZ$ events, leading to its first observation at a hadron collider with a significance of 5.7 standard deviations. The observed (expected) upper limit on $σ(VH)\mathscr{B}(H → c\bar{c}$) is 0.94 (0.50$^{+0.22}_{– 0.15}$)pb at 95% confidence level (C.L.), corresponding to 14 (7.6$^{+3.4}_{–2.3}$) times the standard model prediction. For the Higgs-charm Yukawa coupling modifier, $κ_c$, the observed (expected) 95% C.L. interval is 1.1 < |$κ_c$| < 5.5 (|$κ_c$| < 3.4), the most stringent constraint to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Observation of New Ω c 0 States Decaying to the Ξ c + K - Final State

Two new excited states, Ω c (3185) 0 and Ω c ⁢(3327) 0 , are observed in the $Ξ^{+}_{c}$K - invariant-mass spectrum using proton-proton collision data collected by the LHCb experiment, corresponding to an integrated luminosity of 9 fb -1 . Five previously observed excited $Ω^{0}_{c}$ states are confirmed, namely Ω c ⁢(3000) 0 , Ω c ⁢(3050) 0 , Ω c⁢ (3065) 0 , Ω c⁢ (3090) 0 , and Ω c⁢ (3119) 0 . The masses and widths of these seven states are measured with the highest precision to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Observation of New Charmonium or Charmoniumlike States in B + → D * ± D ∓ K + Decays

A study of resonant structures in B + → D * + D − K + and B + → D * − D + K + decays is performed, using proton-proton collision data at center-of-mass energies of s = 7 , 8, and 13 TeV recorded by the LHCb experiment, corresponding to an integrated luminosity of 9 fb − 1 . A simultaneous amplitude fit is performed to the two channels with contributions from resonances decaying to D * − D + and D * + D − states linked by C parity. This procedure allows the C parities of resonances in the D * ± D ∓ mass spectra to be determined. Four charmonium or charmoniumlike states are observed decaying into D * ± D ∓ : η c ( 3945 ) , h c ( 4000 ) , χ c 1 ( 4010 ) , and h c ( 4300 ) , with quantum numbers J P C equal to 0 − + , 1 + − , 1 + + , and 1 + − , respectively. At least three of these states have not been observed previously. In addition, the existence of the T c ¯ s ¯ 0 * ( 2870 ) 0 and T c ¯ s ¯ 1 * ( 2900 ) 0 resonances in the D − K + mass spectrum, already observed in the B + → D + D − K + decay, is confirmed in a different production channel. © 2024 CERN, for the LHCb Collaboration 2024 CERN

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Evidence for Similar Collectivity of High Transverse-Momentum Particles in 𝑝-Pb and Pb-Pb Collisions

Charged hadron elliptic anisotropies (𝑣 2 ) are presented over a wide transverse momentum (𝑝 T ) range for proton-lead (𝑝 ⁢Pb) and lead-lead (PbPb) collisions at nucleon-nucleon center-of-mass energies of 8.16 and 5.02 TeV, respectively. The data were recorded by the CMS experiment and correspond to integrated luminosities of 186 and 0.607 nb −1 for the 𝑝⁢Pb and PbPb systems, respectively. A four-particle cumulant analysis is performed using subevents separated in pseudorapidity to effectively suppress noncollective effects. At high 𝑝 T (𝑝 T > 8 GeV), significant positive 𝑣 2 values that are similar between 𝑝 ⁢Pb and PbPb collisions at comparable charged particle multiplicities are observed. This observation suggests a common origin for the multiparticle collectivity for high-𝑝 T particles in the two systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Gene-Metabolite Association Prediction with Interactive Knowledge Transfer Enhanced Graph for Metabolite Production

Identifying gene targets for enhancing metabolite production in metabolic engineering is challenging due to the vast research literature and the approximation in genome-scale metabolic model (GEM) simulations. Here, to address this, we propose the Gene-Metabolite Association Prediction task, which automates gene discovery for given metabolite-gene pairs, accompanied by a benchmark dataset of 2474 metabolites and 1947 genes for Saccharomyces cerevisiae (SC) and Issatchenkia orientalis (IO). This task is complicated by incomplete metabolic graphs and metabolic heterogeneity. We introduce an Interactive Knowledge Transfer mechanism based on Metabolism Graphs (IKT4Meta) to enhance prediction accuracy by integrating cross-metabolism knowledge. Using Pretrained Language Models (PLMs) to generate inter-graph links mitigates heterogeneity issues, while intra-graph links are propagated via these anchors. Gene-metabolite predictions are then performed on the enriched graphs integrating multiple microorganisms’ knowledge. Experiments show that IKT4Meta outperforms baselines by up to 12.3% in link prediction.

59 BASIC BIOLOGICAL SCIENCES↗