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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Automatic detection of ship-induced cloud features in satellite imagery

Ships crossing the ocean are known to produce long, curvilinear features called ship tracks visible in satellite imagery via the Twomey effect; however, there has been little exploitation of satellite imagery for broad atmospheric studies or global monitoring of ship emissions due to the difficulty of automated ship track detection. Prior studies are either proof-of-concept, qualitatively assessed, or restricted to a certain time of day. We propose a statistical method for the automated identification of ship tracks and demonstrate using GOES-West ABI data. We first present a human-assisted segmentation method, which we use to generate a ground truth data set of 529 annotated ship tracks in GOES-West ABI products. We then describe a two-stage automated approach comprising a detection stage to generate ship track proposals and a classification stage to reduce false positives. For detection, we present a novel pipeline based around a z-score filtering technique, and for classification, we demonstrate several classifiers from literature. In a final experiment, we quantitatively tune the detection parameters and train the classifier using the ground truth dataset, then test on a sequestered set of images; the detect-then-classify system had an overall Pd of 0.68 and 0.80 for daytime and nighttime data, respectively, and the classifier reduced false positive detections by 67% and 75%.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Artificial Intelligence Application to D and D - 20492

As aging facilities across the DOE complex await decommissioning, there is an ongoing need to understand any changes in the structural conditions. Many of these facilities were built over 50 years ago and, in some cases, these facilities have gone beyond the expected operational lifetime. Many facilities have been placed in a state of 'cold and dark,' sitting unused and awaiting decommissioning. Especially challenging are the aging facilities that provide unique operational/production capabilities to support critical DOE missions and cannot be shut down. In any of these scenarios, the structural integrity of these facilities may become compromised as time passes. It is critical that adequate inspections be performed on a continual basis and that the data collected undergoes sufficient analysis to support timely identification of any new or worsening structural issues as well as prompt needed maintenance and repairs to maintain the facilities in a safe condition. In recent days, Artificial Intelligence (AI) [1] and its application to various domains are growing at fast speed. FIU is performing research in this area and exploring the associated technologies to solve nuclear decommissioning problems. Artificial intelligence refers to the capability of a program to autonomously act, react and adapt to the working environment. AI enables the machine to behave like humans and perform the cognitive functions such as 'learning' and 'problem solving'. AI systems gradually moving from traditional approaches (algorithms and expert systems) towards more efficient and advanced technologies (machine learning [1] and deep learning [2] [3]). AI is the study of algorithms and statistical models that is being used by computers to perform specific tasks without using explicit instructions. FIU is working to develop a pilot-scale infrastructure to implement structural health monitoring using AI technologies with focus on machine learning, deep learning. This research is focused on Computer Vision/Image Classification area of AI applications. This can also be expanded to other areas of AI related to Object Recognition and Character Recognition in images. In addition to utilizing existing data sets, FIU will collect and investigate image and video data using FIU test-bed mockups to monitor structural health of the facility. Resulting data will be processed and analyzed using machine learning/deep learning technologies. The proposed pilot system is intended to serve as a starting point to engage the DOE field sites on related data sets and their decision making needs. It is anticipated that proposed machine learning/deep learning technologies can be effectively employed using anomaly detection to solve EM challenges in surveillance and maintenance of the D and D facilities. FIU will work with research stakeholders to identify applications at various sites and other DOE facilities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

HopPyBar

HopPyBar is a python program to import, analyze, and export split-Hopkinson pressure bar (SHPB, also known as Kolsky bar) data. Traditional analysis offers a black box approach, where input data is converted to analyzed output by performing a series of calculations without user involvement. This program serves as a developmental platform to "white box" the data analysis process. Data streams can be captured (in-situ) to enable advanced or unconventional analyses, statistics, and comparisons. Additionally, the program is geared towards the standardized forms of input and output used at LANL to streamline analysis, but the open nature of the program makes additional input/output schemes straightforward to add. General workflow will import SHPB data in one of a number of formats, identify relevant portions of data signals, and convert to stress-strain-strain rate to show material behavior as a function of dynamic testing.

Morrow, Benjamin↗
DOE OSTI2025

Status and prospects of Muon g-2 experiment

This article reviews the muon g-2 experiment, a cornerstone in precision tests of the Standard Model of particle physics. The experiment measures the anomalous magnetic moment of the muon with unprecedented accuracy, seeking potential discrepancies between theoretical predictions and experimental results that might indicate physics beyond the Standard Model. We trace the evolution of this measurement from its beginnings at CERN in the 1960s to the current state-of-the-art experiment at Fermilab, highlighting the remarkable engineering achievements required to achieve parts-per-billion precision. Recent results from Runs 1-3 have achieved a systematic uncertainty of 70 ppb, exceeding design goals, while ongoing theoretical calculations continue to refine predictions. Despite these advances, the analysis remains statistics-limited, with continued data collection and novel experimental approaches at MUonE and J-PARC promising further insights into this fundamental physical quantity.

Karuza, Marin [INFN, Trieste; Rijeka U.] (ORCID:00↗
DOE OSTI2017

Computing the binding affinity of a ligand buried deep inside a protein with the hybrid steered molecular dynamics

Computing the ligand-protein binding affinity (or the Gibbs free energy) with chemical accuracy has long been a challenge for which many methods/approaches have been developed and refined with various successful applications. False positives and, even more harmful, false negatives have been and still are a common occurrence in practical applications. Inevitable in all approaches are the errors in the force field parameters we obtain from quantum mechanical computation and/or empirical fittings for the intra- and inter-molecular interactions. These errors propagate to the final results of the computed binding affinities even if we were able to perfectly implement the statistical mechanics of all the processes relevant to a given problem. And they are actually amplified to various degrees even in the mature, sophisticated computational approaches. In particular, the free energy perturbation (alchemical) approaches amplify the errors in the force field parameters because they rely on extracting the small differences between similarly large numbers. In this paper, we develop a hybrid steered molecular dynamics (hSMD) approach to the difficult binding problems of a ligand buried deep inside a protein. Sampling the transition along a physical (not alchemical) dissociation path of opening up the binding cavity- -pulling out the ligand- -closing back the cavity, we can avoid the problem of error amplifications by not relying on small differences between similar numbers. We tested this new form of hSMD on retinol inside cellular retinol-binding protein 1 and three cases of a ligand (a benzylacetate, a 2-nitrothiophene, and a benzene) inside a T4 lysozyme L99A/M102Q(H) double mutant. In all cases, we obtained binding free energies in close agreement with the experimentally measured values. This indicates that the force field parameters we employed are accurate and that hSMD (a brute force, unsophisticated approach) is free from the problem of error amplification suffered by many sophisticated approaches in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Z-Pinning approach for 3D printing mechanically isotropic materials

Conventional 3D printing approaches are restricted to building up material in a layer-by-layer format, which is more appropriately considered “2.5-D” printing. The layered structure inherently results in significant mechanical anisotropy in printed parts, causing the tensile strength in the build direction (z-axis) to be only a fraction of the in-plane strength – a decrease of 50–75% is common. In this study, a novel “z-pinning” approach is described that allows continuous material to be deposited across multiple layers within the volume of the part. Here, the z-pinning process is demonstrated using a Fused Filament Fabrication (FFF) printer for polylactic acid (PLA) and carbon fiber reinforced PLA. For both materials, z-pinning increased the tensile strength and toughness in the z-direction by more than a factor of 3.5. Direct comparisons to tensile strength in the x-axis showed a significant decrease in mechanical anisotropy as the volume of the pin was increased relative to the void in the rectilinear grid structure. In fact, the PLA sample with the largest pin volume demonstrated mechanically isotropic properties within the statistical uncertainty of the tests. Tensile test results were also analyzed relative to the functional area resisting deformation for each sample.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A Dimensionally Aligned Signal Projection for Classification of Unintended Radiated Emissions

Characterization of unintended radiated emissions (URE) from electronic devices plays an important role in many research areas from electromagnetic interference to nonintrusive load monitoring to information system security. URE can provide insights for applications ranging from load disaggregation and energy efficiency to condition-based maintenance of equipment-based upon detected fault conditions. URE characterization often requires subject matter expertise to tailor transforms and feature extractors for the specific electrical devices of interest. We present a novel approach, named dimensionally aligned signal projection (DASP), for projecting aligned signal characteristics that are inherent to the physical implementation of many commercial electronic devices. These projections minimize the need for an intimate understanding of the underlying physical circuitry and significantly reduce the number of features required for signal classification. We present three possible DASP algorithms that leverage frequency harmonics, modulation alignments, and frequency peak spacings, along with a two-dimensional image manipulation method for statistical feature extraction. To demonstrate the ability of DASP to generate relevant features from URE, we measured the conducted URE from 14 residential electronic devices using a 2 MS/s collection system. Furthermore, a linear discriminant analysis classifier was trained using DASP generated features and was blind tested resulting in a greater than 90% classification accuracy for each of the DASP algorithms and an accuracy of 99.1% when DASP features are used in combination. Furthermore, we show that a rank reduced feature set of the combined DASP algorithms provides a 98.9% classification accuracy with only three features and outperforms a set of spectral features in terms of general classification as well as applicability across a broad number of devices.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Method of Determining the Reliability of Real-Time In-reactor Monitoring of VVER

A methodological approach and the basic tenets for evaluating the reliability of in-reactor monitoring of VVER are presented. The method is based on the statistical analysis of indications in real time and includes methods for evaluating the admissible maximum error of the measurement channels used for monitoring as well as the average value and admissible deviation of indications in groups of parallel monitoring channels, as well as a method of evaluating reliability by comparing the values of a parameter with the regime values. In comparing the indications of a monitoring channel with the indications of other parallel channels, the median value is proposed as the baseline value. The developed method is implemented in the Diagnostika SVRK special software, which has been successfully tested during the commissioning of the No. 1 unit at the Novovoronezh NPP-2.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Estimation of Tropical Cyclone Intensity in the North Atlantic and Northeastern Pacific Basins Using TRMM Satellite Passive Microwave Observations

Here, a statistical passive microwave intensity estimation (PMW-IE) algorithm for estimating the intensity of tropical cyclones (TCs) in the North Atlantic and northeastern and central Pacific basins is developed and tested. The algorithm is derived from Tropical Rainfall Measuring Mission (TRMM) Microwave Imager (TMI) 85-GHz brightness temperatures and near-surface rain-rate retrievals to provide objective estimates of current maximum sustained surface winds (Vmax) and 6-h future Vmax of TCs. The full record of TRMM data (1998–2013) including 2326 TMI overpasses of 503 TCs is separated into dependent samples (1998–2010) for model development and independent samples (2011–13) for model verification. The best track intensities are used as dependent variables in a stepwise multiple-regression approach. Separately for each basin, three regression models are derived using selected 1) 85-GHz-only variables, 2) rain-rate-only variables, and 3) combined 85-GHz and rain variables. The algorithms are assessed using independent samples and those with contemporaneous aircraft-reconnaissance measurements. Rain-only and combined models perform better than the 85-GHz-only model. Lower errors are found for estimating the 6-h future Vmax than estimating the current Vmax using all three models. This implies that it is optimal to use passive-microwave-retrieved rain variables observed a few hours earlier to estimate TC intensity. The MAE (RMSE) of 6-h future Vmax is 9 (12) kt (1 kt ≈ 0.51 m s -1 ) when testing the combined models with ATL and EPA independent samples. Aircraft-reconnaissance-based independent samples yields a MAE of 9.6 kt and RMSE of 12.6 kt for estimating 6-h future Vmax.

58 GEOSCIENCES↗
DOE OSTI2024

The relationship between stress, anxiety and eating behavior among Chinese students: a cross-sectional study

Background The expansion of higher education and the growing number of college students have led to increased awareness of mental health issues such as stress, anxiety, and eating disorders. In China, the educational system and cultural expectations contribute to the stress experienced by college students. This study aims to clarify the role of anxiety as a mediator in the relationship between stress and eating behaviors among Chinese college students. Methods This study utilized data from the 2021 Psychology and Behavior Investigation of Chinese Residents, which included 1,672 college students under the age of 25. The analysis methods comprised descriptive statistics, t -tests, Pearson correlation analyses, and mediation effect analysis. Results The findings indicate that Chinese college students experience high levels of stress, with long-term stress slightly exceeding short-term stress. Both types of stress were positively correlated with increased anxiety and the adoption of unhealthy eating behaviors. Anxiety was identified as a significant mediator, accounting for 28.3% of the relationship between long-term stress and eating behavior (95% CI = 0.058–0.183). The mediation effect of short-term stress on eating behavior through anxiety was also significant, explaining 61.4% of the total effect (95% CI = 0.185–0.327). Conclusion The study underscores the importance of stress management and mental health services for college students. It recommends a comprehensive approach to reducing external pressures, managing anxiety, and promoting healthy eating behaviors among college students. Suggestions include expanding employment opportunities, providing career guidance, enhancing campus and societal support for holistic development, strengthening mental health services, leveraging artificial intelligence technologies, educating on healthy lifestyles, and implementing targeted health promotion programs.

Chai, Yulin↗
DOE OSTI2018

A Ricin Forensic Profiling Approach Based on a Complex Set of Biomarkers

A forensic method for the retrospective determination of preparation methods used for illicit ricin toxin production was developed. The method was based on a complex set of biomarkers, including carbohydrates, fatty acids, seed storage proteins, in combination with data on ricin and Ricinus communis agglutinin. The analyses were performed on samples prepared from four castor bean plant ( Ricinus communis ) cultivars by four different sample preparation methods (PM1 – PM4) ranging from simple disintegration of the castor beans to multi-step preparation methods including different protein precipitation methods. Comprehensive analytical data was collected by use of a range of analytical methods and robust orthogonal partial least squares-discriminant analysis- models (OPLS-DA) were constructed based on the calibration set. By the use of a decision tree and two OPLS-DA models, the sample preparation methods of a test set of ricin preparations were determined. The model statistics of the two models were good and a 100% rate of correct predictions of the test set was achieved.

Fredriksson, Sten-Åke (ORCID:0000000237131990)↗
DOE OSTI2018

Hybrid feature selection approach for power transformer fault diagnosis based on support vector machine and genetic algorithm

To further improve fault diagnosis accuracy, a new hybrid feature selection approach combined with a genetic algorithm (GA) and support vector machine (SVM) is presented in this study. Adaptive synthetic technique and arctangent transformation method are adopted to improve the statistical property of the training set (IEC TC10 dataset). Five filter methods based on different evaluation metrics are employed to rank 48 input features derived from dissolved gas analysis (DGA). Then, feature combination methods are applied to aggregate feature ranks and form a lower-dimension candidate feature subset. The GA-SVM model is implemented to optimise parameters and select optimal feature subsets. 5-fold cross-validation accuracy of the GA-SVM is used to evaluate fault diagnosis capability of feature subsets and finally, a novel subset is determined as the optimal feature subset. Accuracy comparison manifests the superiority of the optimal feature subsets over that of conventional approaches. Besides, generalisation and robustness of the optimal subset are validated by testing DGA samples from the local power utility. Results indicate that the optimal feature subset obtained by the proposed method can significantly improve the accuracies of power transformer fault diagnosis.

Kari, Tusongjiang↗
DOE OSTI2023

Study of η(1405)/η(1475) in $J/\psi \to \gamma {K}_S^0{K}_S^0{\pi}^0$ decay

Using a sample of (10 . 09 ± 0 . 04) × 10 9 J/ψ decays collected with the BESIII detector, partial wave analyses of the decay $ J/\psi \to \gamma {K}_S^0{K}_S^0{\pi}^0$ are performed within the ${K}_S^0{K}_S^0{\pi}^0$ invariant mass region below 1.6 GeV/ c 2 . The covariant tensor amplitude method is used in both mass independent and mass dependent approaches. Both analysis approaches exhibit dominant pseudoscalar and axial vector components, and show good consistency for the other individual components. Furthermore, the mass dependent analysis reveals that the ${K}_S^0{K}_S^0{\pi}^0$ invariant mass spectrum for the pseudoscalar component can be well described with two isoscalar resonant states using relativistic Breit-Wigner model, i.e., the η (1405) with a mass of $1391.7\pm {0.7}_{-0.3}^{+11.3}$ MeV/ c 2 and a width of $60.8\pm {1.2}_{-12.0}^{+5.5}$ MeV, and the η (1475) with a mass of $1507.6\pm {1.6}_{-32.2}^{+15.5}$ MeV/ c 2 and a width of $115.8\pm {2.4}_{-10.9}^{+14.8}$ MeV. The first and second uncertainties are statistical and systematic, respectively. Alternate models for the pseudoscalar component are also tested, but the description of the ${K}_S^0{K}_S^0{\pi}^0$ invariant mass spectrum deteriorates significantly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Prospects and Limitations of Predicting Fuel Ignition Properties from Low-Temperature Speciation Data

Using chemical kinetic modeling and statistical analysis, we investigate the possibility of correlating key chemical “markers”–typically small molecules–formed during very lean (φ ~ 0.001) oxidation experiments with near-stoichiometric (φ ~ 1) fuel ignition properties. One goal of this work is to evaluate the feasibility of designing a fuel-screening platform, based on small laboratory reactors that operate at low temperatures and use minimal fuel volume. Buras et al. [Combust. Flame2020,216, 472–484] have shown that convolutional neural net (CNN) fitting can be used to correlate first-stage ignition delay times (IDTs) with OH/HO2 measurements during very lean oxidation in low-T flow reactors with better than factor-of-2 accuracy. In this work, we test the limits of applying this correlation-based approach to predict the low-temperature heat release (LTHR) and total IDT, including the sensitivity of total IDT to the equivalence ratio, φ. We demonstrate that first-stage IDT can be reliably correlated with very lean oxidation measurements using compressed sensing (CS), which is simpler to implement than CNN fitting. LTHR can also be predicted via CS analysis, although the correlation quality is somewhat lower than for first-stage IDT. In contrast, the accuracy of total IDT prediction at φ = 1 is significantly lower (within a factor of 4 or worse). Furthermore, these results can be rationalized by the fact that the first-stage IDT and LTHR are primarily determined by low-temperature chemistry, whereas total IDT depends on low-, intermediate-, and high-temperature chemistry. Oxidation reactions are most important at low temperatures, and therefore, measurements of universal molecular markers of oxidation do not capture the full chemical complexity required to accurately predict the total IDT even at a single equivalence ratio. As a result, we find that φ-sensitivity of ignition delay cannot be predicted at all using solely correlation with lean low-T chemical speciation measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

DUNE and MINERvA Flux Studies and a Measurement of the Charged-Current Quasielastic Antineutrino Scattering Cross Section with $<E_{\nu}> \sim 6 $ GeV on a CH Target

One of the biggest open questions in physics is the prevalence of matter over anti-matter in the present universe. One of possible answers lies in the violation of charge and parity symmetry in the lepton sector that would favor matter over anti-matter so that the universe becomes dominated by matter over time. Recent results from neutrino experiments like T2K and NOvA have indicated that there is CP violation in the leptonic sector \citep{Abe:2019vii}. However, the precise measurement of CP violation will require an unprecedented level of accuracy in these oscillation experiments. One of the challenges lies with the systematic uncertainties that come with the measurements, which include uncertainties related to the neutrino flux modeling, interaction modeling and detector related systematic uncertainties.\\ The first part of this thesis will go through the challenges related to flux uncertainties. It will discuss the flux uncertainties related to hadron production in the LBN F beamli ne for the DUNE experiment. Hadron production models used in flux simulations vary widely depending on the simulation and choice of physics models used to simulate the hadron production. This thesis will explain the method of using existing hadron production data to constrain these uncertainties, a method which has been used in MINERvA experiment.\\ The second part of the thesis goes through the effect of possible flux mismodeling and MINERvA's approach to address this effect. In doing so, we discovered that the suspected mismodeling could also result from incorrect estimation of the energy scale of the muons. This project not only demonstrated the challenges of flux modeling but also led to a novel approach of using neutrino energy spectra to understand the correlation between detector and neutrino beamline parameters. \\ A high statistics measurement of the anti-neutrino scattering cross section in the charged current quasielastic (CCQE) channel is the final part of the th esis. Th e 2-body interactions in this channel have the advantage of allowing reconstruction of the interaction kinematics from the outgoing muon trajectory which can be measured very well. Double differential cross sections as a function of muon kinematics, one of the deliverables of this analysis, will help future oscillation experiments understand their data. The cross-section as a function of the four-momentum transferred from the leptonic system to the hadronic system ($Q^{2}_{QE}$) can be used to test models used in simulating antineutrino interactions and the nuclear effects that can modify the predicted cross sections. Nuclear effects arise from the complex nuclear environment and both modify the initial scattering and change the fate of the particles produced from in neutrino-nucleus interactions. Study of nuclear effects will help to understand the structure of the atomic nucleus and its impact on neutrino interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Do the most massive black holes at z = 2 grow via major mergers?

The most frequently proposed model for the origin of quasars holds that the high accretion rates seen in luminous active galactic nuclei (AGN) are primarily triggered during major mergers between gas-rich galaxies. While plausible for decades, this model has only begun to be tested with statistical rigor in the past few years. Here, we report on a Hubble Space Telescope study to test this hypothesis for z = 2 quasars with high supermassive black hole masses (M{sub BH}=10{sup 9}--10{sup 10} M{sub ⊙} ), which dominate cosmic black hole growth at this redshift. We compare Wide Field Camera 3 F160W (rest-frame V-band) imaging of 19 point source-subtracted quasar hosts to a matched sample of 84 inactive galaxies, testing whether the quasar hosts have greater evidence for strong gravitational interactions. Using an expert ranking procedure, we find that the quasar hosts are uniformly distributed within the merger sequence of inactive galaxies, with no preference for quasars in high-distortion hosts. Using a merger/non-merger cutoff approach, we recover distortion fractions of f{sub m,qso}=0.39±0.11 for quasar hosts and f{sub m,gal}=0.30±0.05 for inactive galaxies (distribution modes, 68% confidence intervals), with both measurements subjected to the same observational conditions and limitations. The slight enhancement in distorted fraction for quasar hosts over inactive galaxies is not significant, with a probability that the quasar fraction is higher P(f{sub m,qso}>f{sub m,gal})=0.78 (0.78σ), in line with results for lower mass and lower z AGN. We find no evidence that major mergers are the primary triggering mechanism for the massive quasars that dominate accretion at the peak of cosmic quasar activity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Consistent and reproducible computation of the glass transition temperature from molecular dynamics simulations

In many fields, from semiconductors for opto-electronic applications to ionic liquids (ILs) for separations, the glass transition temperature (Tg) of a material is a useful gauge for its potential use in practical settings. As a result, there is a great deal of interest in predicting Tg using molecular simulations. However, the uncertainty and variation in the trend shift method, a common approach in simulations to predict Tg, can be high. This is due to the need for human intervention in defining a fitting range for linear fits of density with temperature assumed for the liquid and glass phases across the simulated cooling. The definition of such fitting ranges then defines the estimate for the Tg as the intersection of linear fits. We eliminate this need for human intervention by leveraging the Shapiro–Wilk normality test and proposing an algorithm to define the fitting ranges and, consequently, Tg. Through this integration, we incorporate into our automated methodology that residuals must be normally distributed around zero for any fit, a requirement that must be met for any regression problem. Consequently, fitting ranges for realizing linear fits for each phase are statistically defined rather than visually inferred, obtaining an estimate for Tg without any human intervention. The method is also capable of finding multiple linear regimes across density vs temperature curves. We compare the predictions of our proposed method across multiple IL and semiconductor molecular dynamics simulation results from the literature and compare other proposed methods for automatically detecting Tg from density–temperature data. We believe that our proposed method would allow for more consistent predictions of Tg. We make this methodology available and open source through GitHub.

Chemistry↗