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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 289 records · Page 16

Bayesian Monte Carlo Evaluation of Imperfect (n, 233 U) Data and Model

Conventional nuclear data evaluation methods using generalized linear least squares make the following assumptions: prior and posterior probability distribution functions (PDFs) of all model parameters and data are normal (Gaussian); the linear approximation is sufficiently accurate to minimize the cost function (even for nonlinear models); the model (e.g., of neutron cross section) and experimental data (including covariance data) are without defect and prior PDFs of parameters and measured data are known perfectly. Neglect of covariance between model parameters and measured data in conventional evaluations contributes to imperfections. These assumptions are inherent to the generalized linear least squares minimization method commonly used for resolved resonance region neutron cross section evaluations but are often not justified due to the presence of non-normal PDFs, nonlinear models (e.g., R-matrix formalism), and inherent imperfections in data and models (e.g., imperfect covariance data). Here, these assumptions are removed in a mathematical framework of Bayes’ theorem, which is implemented using the Metropolis-Hastings Monte Carlo method. Most importantly, new parameters are introduced to parameterize discrepancies between the theoretical model and measured data to quantify judgement about discrepancies or imperfections in a reproducible manner. An evaluation of 233U in the eV region using the ENDF-B/VIII.0 library and transmission data (Guber et al.) is presented, and posterior parameters are compared to those obtained by conventional evaluation methods. This example illustrates the effects of removing the most harmful assumption: that of model-data perfection.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Lower Tropospheric Processes: A Control on the Global Mean Precipitation Rate

The spread in global mean precipitation among climate models is explored in two ensembles using the complementary perspectives of surface evaporation and energy budgets. Models with higher global mean precipitation have stronger oceanic evaporation, driven by drier near-surface air. The drier surface conditions occur alongside increases in near-surface temperature and moisture at 925 hPa, which point to stronger boundary layer mixing. Correlations suggest that the degree of lower tropospheric mixing explains 18%–49% of the intermodel precipitation variance. To test this hypothesis, the degree of mixing is indirectly varied in a single-model experiment by adjusting the relative humidity threshold that controls low-cloud fraction. Indeed, increasing lower tropospheric mixing results in more global mean precipitation. Energetically, increased precipitation rates are associated with more downwelling longwave radiation to the surface and weaker sensible heat fluxes. These results highlight how lower-tropospheric processes must be better constrained to reduce the precipitation discrepancy among climate models.

58 GEOSCIENCES↗

3.6 and 4.5 μm Spitzer phase curves of the highly irradiated hot jupiters WASP-19b and HAT-P-7b

We analyze full-orbit phase curve observations of the transiting hot Jupiters WASP-19b and HAT-P-7b at 3.6 and 4.5 μm, obtained using the Spitzer Space Telescope. For WASP-19b, we measure secondary eclipse depths of 0.485%±0.024% and 0.584%±0.029% at 3.6 and 4.5 μm, which are consistent with a single blackbody with effective temperature 2372 ± 60 K. The measured 3.6 and 4.5 μm secondary eclipse depths for HAT-P-7b are 0.156%±0.009% and 0.190%±0.006%, which are well described by a single blackbody with effective temperature 2667 ± 57 K. Comparing the phase curves to the predictions of one-dimensional and three-dimensional atmospheric models, we find that WASP-19b’s dayside emission is consistent with a model atmosphere with no dayside thermal inversion and moderately efficient day–night circulation. We also detect an eastward-shifted hotspot, which suggests the presence of a superrotating equatorial jet. In contrast, HAT-P-7b’s dayside emission suggests a dayside thermal inversion and relatively inefficient day–night circulation; no hotspot shift is detected. For both planets, these same models do not agree with the measured nightside emission. The discrepancies in the model-data comparisons for WASP-19b might be explained by high-altitude silicate clouds on the nightside and/or high atmospheric metallicity, while the very low 3.6 μm nightside planetary brightness for HAT-P-7b may be indicative of an enhanced global C/O ratio. We compute Bond albedos of 0.38 ± 0.06 and 0 (<0.08 at 1σ) for WASP-19b and HAT-P-7b, respectively. In the context of other planets with thermal phase curve measurements, we show that WASP-19b and HAT-P-7b fit the general trend of decreasing day–night heat recirculation with increasing irradiation.

79 ASTRONOMY AND ASTROPHYSICS↗

Using field observations to inform thermal hydrology models of permafrost dynamics with ATS (v0.83)

Climate change is profoundly transforming the carbon-rich Arctic tundra landscape, potentially moving it from a carbon sink to a carbon source by increasing the thickness of soil that thaws on a seasonal basis. Thus, the modeling capability and precise parameterizations of the physical characteristics needed to estimate projected active layer thickness (ALT) are limited in Earth system models (ESMs). In particular, discrepancies in spatial scale between field measurements and Earth system models challenge validation and parameterization of hydrothermal models. A recently developed surface–subsurface model for permafrost thermal hydrology, the Advanced Terrestrial Simulator (ATS), is used in combination with field measurements to achieve the goals of constructing a process-rich model based on plausible parameters and to identify fine-scale controls of ALT in ice-wedge polygon tundra in Barrow, Alaska. An iterative model refinement procedure that cycles between borehole temperature and snow cover measurements and simulations functions to evaluate and parameterize different model processes necessary to simulate freeze–thaw processes and ALT formation. After model refinement and calibration, reasonable matches between simulated and measured soil temperatures are obtained, with the largest errors occurring during early summer above ice wedges (e.g., troughs). The results suggest that properly constructed and calibrated one-dimensional thermal hydrology models have the potential to provide reasonable representation of the subsurface thermal response and can be used to infer model input parameters and process representations. The models for soil thermal conductivity and snow distribution were found to be the most sensitive process representations. However, information on lateral flow and snowpack evolution might be needed to constrain model representations of surface hydrology and snow depth.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Using field observations to inform thermal hydrology models of permafrost dynamics with ATS (v0.83)

Climate change is profoundly transforming the carbon-rich Arctic tundra landscape, potentially moving it from a carbon sink to a carbon source by increasing the thickness of soil that thaws on a seasonal basis. However, the modeling capability and precise parameterizations of the physical characteristics needed to estimate projected active layer thickness (ALT) are limited in Earth System Models (ESMs). In particular, discrepancies in spatial scale between field measurements and Earth System Models challenge validation and parameterization of hydrothermal models. A recently developed surface/subsurface model for permafrost thermal hydrology, the Advanced Terrestrial Simulator (ATS), is used in combination with field measurements to calibrate and identify fine scale controls of ALT in ice wedge polygon tundra in Barrow, Alaska. An iterative model refinement procedure that cycles between borehole temperature and snow cover measurements and simulations functions to evaluate and parameterize different model processes necessary to simulate freeze/thaw processes and ALT formation. After model refinement and calibration, reasonable matches between simulated and measured soil temperatures are obtained, with the largest errors occurring during early summer above ice wedges (e.g. troughs). The results suggest that properly constructed and calibrated one-dimensional thermal hydrology models have the potential to provide reasonable representation of the subsurface thermal response and can be used to infer model input parameters and process representations. The models for soil thermal conductivity and snow distribution were found to be the most sensitive process representations. However, information on lateral flow and snowpack evolution might be needed to constrain model representations of surface hydrology and snow depth.

54 ENVIRONMENTAL SCIENCES↗

Experimental observation of 3-D, impulsive reconnection events in a laboratory plasma

Fast, impulsive reconnection is commonly observed in laboratory, space, and astrophysical plasmas. In this work, impulsive, local, 3-D reconnection is identified for the first time in a laboratory current sheet. The two-fluid, impulsive reconnection events observed on the Magnetic Reconnection Experiment (MRX) [Yamada et al., Phys Plasmas 4, 1936 (1997)] cannot be explained by 2-D models and are therefore fundamentally three-dimensional. Several signatures of flux ropes are identified with these events; 3-D high current density regions with O-point structure form during a slow buildup period that precedes a fast disruption of the reconnecting current layer. The observed drop in the reconnection current and spike in the reconnection rate during the disruption are due to ejection of these flux ropes from the layer. Underscoring the 3-D nature of the events, strong out-of-plane gradients in both the density and reconnecting magnetic field are found to play a key role in this process. Electromagnetic fluctuations in the lower hybrid frequency range are observed to peak at the disruption time; however, they are not the key physics responsible for the impulsive phenomena observed. Important features of the disruption dynamics cannot be explained by an anomalous resistivity model. An important discrepancy in the layer width and force balance between the collisionless regime of MRX and kinetic simulations is also revisited. The wider layers observed in MRX may be due to the formation of flux ropes with a wide range of sizes; consistent with this hypothesis, flux rope signatures are observed down to the smallest scales resolved by the diagnostics. Finally, a 3-D two-fluid model is proposed to explain how the observed out-of-plane variation may lead to a localized region of enhanced reconnection that spreads in the direction of the out-of-plane electron flow, ejecting flux ropes from the layer in a 3-D manner.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

CALIBRATING STELLAR POPULATION MODELS WITH MAGELLANIC CLOUD STAR CLUSTERS

Stellar population models are commonly calculated using star clusters as calibrators for those evolutionary stages that depend on free parameters. However, discrepancies exist among different models, even if similar sets of calibration clusters are used. With the aim of understanding these discrepancies, and of improving the calibration procedure, we consider a set of 43 Magellanic Cloud (MC) clusters, taking age and photometric information from the literature. We carefully assign ages to each cluster based on up-to-date determinations, ensuring that these are as homogeneous as possible. To cope with statistical fluctuations, we stack the clusters in five age bins, deriving for each of them integrated luminosities and colors. We find that clusters become abruptly red in optical and optical-infrared colors as they age from {approx}0.6 to {approx}1 Gyr, which we interpret as due to the development of a well-populated thermally pulsing asymptotic giant branch (TP-AGB). We argue that other studies missed this detection because of coarser age binnings. Maraston and Girardi et al. models predict the presence of a populated TP-AGB at {approx}0.6 Gyr, with a correspondingly very red integrated color, at variance with the data; Bruzual and Charlot and Conroy models run within the error bars at all ages. The discrepancy between the synthetic colors of Maraston models and the average colors of MC clusters results from the now obsolete age scale adopted. Finally, our finding that the TP-AGB phase appears to develop between {approx}0.6 and 1 Gyr is dependent on the adopted age scale for the clusters and may have important implications for stellar evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

An experimental investigation of flame and autoignition behavior of propane

We report autoignition delay time data are one important means to develop, quantify, and validate fundamental understanding of combustion chemistry at low temperatures (T<1200 K). However, low-temperature chemistry often has higher uncertainties and scatter in the experimental data compared with high-temperature ignition data (T>1200 K). In this study, autoignition properties of propane and oxygen mixtures were investigated using the University of Michigan rapid compression facility in order to understand the effects of ignition regimes on low-temperature ignition data. For the first time for propane, autoignition delay times were determined from pressure histories, and autoignition characteristics were simultaneously recorded using highspeed imaging of the test section through a transparent end-wall. Propane mixtures with fuel-to-O 2 equivalence ratios of φ = 0.25 and φ = 0.5 and O 2 -to-inert gas molar ratios of 1:3.76 were studied over the pressure range of 8.9 to 11.3 atm and the temperature range of 930 – 1070 K. The results showed homogeneous or strong autoignition occurred for all φ = 0.25 experiments, and inhomogeneous or mixed autoignition occurred for all φ = 0.5 experiments. While a limited temperature range is covered in the study, importantly the data span predicted transitions in autoignition behavior, allowing validation of autoignition regime hypotheses. Specifically, the results agree well with strong-autoignition limits proposed based on the Sankaran Criterion. The autoignition delay time data at the strong-ignition conditions are in excellent agreement with predictions using a well-validated detailed reaction mechanism from the literature and a zerodimensional modeling assumption. However, the experimental data at the mixed autoignition conditions were systematically faster than the model predictions, particularly at lower temperatures (T< ~970 K). The results are an important addition to the growing body of data in the literature that show mixed autoignition phenomena are important sources of the higher scatter observed in the low-temperature autoignition data for propane and other fuels. The results are discussed in terms of different methods to capture the effects of pre-autoignition heat release associated with mixed autoignition conditions and thereby address some of the discrepancies between kinetic modeling and experimental measurements.

42 ENGINEERING↗

Surface thermocouples for measurement of pulsed heat flux in the divertor of the Alcator C-Mod tokamak

A novel set of thermocouple sensors has been developed to measure heat fluxes arriving at divertor surfaces in the Alcator C-Mod tokamak, a magnetic confinement fusion experiment. These sensors operate in direct contact with the divertor plasma, which deposits heat fluxes in excess of {approx}10 MW/m{sup 2} over an {approx}1 s pulse. Thermoelectric EMF signals are produced across a non-standard bimetallic junction: a 50 {mu}m thick 74% tungsten-26% rhenium ribbon embedded in a 6.35 mm diameter molybdenum cylinder. The unique coaxial geometry of the sensor combined with its single-point electrical ground contact minimizes interference from the plasma/magnetic environment. Incident heat fluxes are inferred from surface temperature evolution via a 1D thermal heat transport model. For an incident heat flux of 10 MW/m{sup 2}, surface temperatures rise {approx}1000 deg. C/s, corresponding to a heat flux flowing along the local magnetic field of {approx}200 MW/m{sup 2}. Separate calorimeter sensors are used to independently confirm the derived heat fluxes by comparing total energies deposited during a plasma pulse. Langmuir probes in close proximity to the surface thermocouples are used to test plasma-sheath heat transmission theory and to identify potential sources of discrepancies among physical models.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The discrepancies in multistep damage evolution of yttria-stabilized zirconia irradiated with different ions

This paper reports a comprehensive investigation of structural damage in yttria-stabilized zirconia irradiated with different ions over a wide fluence range. A similar multistep damage accumulation exists for the irradiations of different ions, but the critical doses for occurrence of second damage step, characterized by a faster increase in damage fraction, and the maximum elastic strain at the first damage step are varied and depend on ion mass. For irradiations of heavier ions, the second damage step occurs at a higher dose with a lower critical elastic strain. Furthermore, larger extended defects were observed in the irradiations of heavy ions at the second damage step. Associated with other experiment results and multistep damage accumulation model, the distinct discrepancies in the damage buildup under irradiations of different ions were interpreted by the effects of electronic excitation, energy of primary knock-on atom and chemistry contributions of deposited ions.

Yang, Tengfei↗

U.S. stock market interaction network as learned by the Boltzmann machine

Here, we study historical dynamics of joint equilibrium distribution of stock returns in the U.S. stock market using the Boltzmann distribution model being parametrized by external fields and pairwise couplings. Within Boltzmann learning framework for statistical inference, we analyze historical behavior of the parameters inferred using exact and approximate learning algorithms. Since the model and inference methods require use of binary variables, effect of this mapping of continuous returns to the discrete domain is studied. The presented results show that binarization preserves the correlation structure of the market. Properties of distributions of external fields and couplings as well as the market interaction network and industry sector clustering structure are studied for different historical dates and moving window sizes. We demonstrate that the observed positive heavy tail in distribution of couplings is related to the sparse clustering structure of the market. We also show that discrepancies between the model’s parameters might be used as a precursor of financial instabilities.

97 MATHEMATICS AND COMPUTING↗

Ground Source Heat Pump Sub-Slab Heat Exchange Loop Performance in a Cold Climate

This report presents a cold-climate project that examines an alternative approach to ground source heat pump (GSHP) ground loop design. The innovative ground loop design is an attempt to reduce the installed cost of the ground loop heat exchange portion of the system by containing the entire ground loop within the excavated location beneath the basement slab. Prior to the installation and operation of the sub-slab heat exchanger, energy modeling using TRNSYS software and concurrent design efforts were performed to determine the size and orientation of the system. One key parameter in the design is the installation of the GSHP in a low-load home, which considerably reduces the needed capacity of the ground loop heat exchanger. This report analyzes data from two cooling seasons and one heating season. Upon completion of the monitoring phase, measurements revealed that the initial TRNSYS simulated horizontal sub-slab ground loop heat exchanger fluid temperatures and heat transfer rates differed from the measured values. To determine the cause of this discrepancy, an updated model was developed utilizing a new TRNSYS subroutine for simulating sub-slab heat exchangers. Measurements of fluid temperature, soil temperature, and heat transfer were used to validate the updated model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

MO-F-16A-01: Implementation of MPPG TPS Verification Tests On Various Accelerators

Purpose: To demonstrate the implementation of the Medical Physics Practice Guideline (MPPG) for dose calculation and beam parameters verification of treatment planning systems (TPS). Methods: We implemented the draft TPS MPPG for three linacs: Varian Trilogy, TomoHDA and Elekta Infinity. Static and modulated test plans were created. The static fields are different than used in commissioning. Data was collected using ion chambers and diodes in a scanning water tank, Delta4 phantom and a custom phantom. MatLab and Microsoft Excel were used to create analysis tools to compare reference DICOM dose with scan data. This custom code allowed for the interpolation, registration and gamma analysis of arbitrary dose profiles. It will be provided as open source code. IMRT fields were validated with Delta4 registration and comparison tools. The time for each task was recorded. Results: The tests confirmed the strengths, and revealed some limitations, of our TPS. The agreement between calculated and measured dose was reported for all beams. For static fields, percent depth dose and profiles were analyzed with criteria in the draft MPPG. The results reveal areas of slight mismatch with the model (MLC leaf penumbra, buildup region.) For TomoTherapy, the IMRT plan 2%/2 mm gamma analysis revealed poorest agreement in the low dose regions. For one static test plan for all 10MV Trilogy photon beams, the plan generation, scan queue creation, data collection, data analysis and report took 2 hours, excluding tank setup. Conclusions: We have demonstrated the implementation feasibility of the TPS MPPG. This exercise generated an open source tool for dose comparisons between scan data and DICOM dose data. An easily reproducible and efficient infrastructure with streamlined data collection was created for repeatable robust testing of the TPS. The tests revealed minor discrepancies in our models and areas for improvement that are being investigated.

07 ISOTOPE AND RADIATION SOURCES↗

Ignition delay time and H 2 O measurements during methanol oxidation behind reflected shock waves

To improve detailed chemical kinetics models, the oxidation of methanol was investigated behind reflected shock waves in shock tubes. Ignition delay times of methanol–air mixtures, with Ar as diluent, were studied between 940 and 1540 K in a heated shock tube, for pressures up to 14.9 atm and for equivalence ratios of 0.5, 1.0, and 2.0. Water profiles were measured by utilizing a laser absorption technique in the 1350-to-1600-K temperature range, at an average pressure of 1.3 atm and for similar equivalence ratios. The present study shows here the ignition delay times of methanol to be in very good agreement with results from the literature (Fieweger et al., 1997), whereas the other conditions have never been investigated before. The ignition delay time data are also in good agreement with modern detailed kinetics mechanisms such as the AramcoMech 3.0 model. The water time-history profiles were modeled using well-known literature mechanisms. Discrepancies were observed between these kinetics mechanisms, and poor predictions were observed for the lower temperatures investigated. Sensitivity and rate-of-production analyses were performed using 3 literature mechanisms (namely, AramcoMech 3.0, Princeton, and JetSurfII). Discrepancies were found among the models when predicting important reactions dominating the oxidation of methanol as well as the rate-of-production of H 2 O.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Performance Evaluation of HYCOM-GOM for Hydrokinetic Resource Assessment in the Florida Strait

The U.S. Department of Energy (DoE) is assessing and mapping the potential off-shore ocean current hydrokinetic energy resources along the U.S. coastline, excluding tidal currents, to facilitate market penetration of water power technologies. This resource assessment includes information on the temporal and three-dimensional spatial distribution of the daily averaged power density, and the overall theoretical hydrokinetic energy production, based on modeled historical simulations spanning a 7-year period of record using HYCOM-GOM, an ocean current observation assimilation model that generates a spatially distributed three-dimensional representation of daily averaged horizontal current magnitude and direction time series from which power density time series and their statistics can be derived. This study ascertains the deviation of HYCOM-GOM outputs, including transport (flow) and power density, from outputs based on three independent observation sources to evaluate HYCOM-GOM performance. The three independent data sources include NOAA s submarine cable data of transport, ADCP data at a high power density location, and HF radar data in the high power density region of the Florida Strait. Comparisons with these three independent observation sets indicate discrepancies with HYCOM model outputs, but overall indicate that the HYCOM-GOM model can provide an adequate assessment of the ocean current hydrokinetic resource in high power density regions like the Florida Strait. Additional independent observational data, in particular stationary ADCP measurements, would be useful for expanding this model performance evaluation study. ADCP measurements are rare in ocean environments not influenced by tides, and limited to one location in the Florida Strait. HF radar data, although providing great spatial coverage, is limited to surface currents only.

ADCP↗

Computationally efficient and error aware surrogate construction for numerical solutions of subsurface flow through porous media

Limiting the injection rate to restrict the pressure below a threshold at a critical location can be an important goal of simulations that model the subsurface pressure between injection and extraction wells. The pressure is approximated by the solution of Darcy’s partial differential equation for a given permeability field. The subsurface permeability is modeled as a random field since it is known only up to statistical properties. This induces uncertainty in the computed pressure. Solving the partial differential equation for an ensemble of random permeability simulations enables estimating a probability distribution for the pressure at the critical location. These simulations are computationally expensive, and practitioners often need rapid online guidance for real-time pressure management. An ensemble of numerical partial differential equation solutions is used to construct a Gaussian process regression model that can quickly predict the pressure at the critical location as a function of the extraction rate and permeability realization. The Gaussian process surrogate analyzes the ensemble of numerical pressure solutions at the critical location as noisy observations of the true pressure solution, enabling robust inference using the conditional Gaussian process distribution. Our first novel contribution is to identify a sampling methodology for the random environment and matching kernel technology for which fitting the Gaussian process regression model scales as O ( n log n ) instead of the typical O ( n 3 ) rate in the number of samples n used to fit the surrogate. The surrogate model allows almost instantaneous predictions for the pressure at the critical location as a function of the extraction rate and permeability realization. Our second contribution is a novel algorithm to calibrate the uncertainty in the surrogate model to the discrepancy between the true pressure solution of Darcy’s equation and the numerical solution. Finally, although our method is derived for building a surrogate for the solution of Darcy’s equation with a random permeability field, the framework broadly applies to solutions of other partial differential equations with random coefficients.

54 ENVIRONMENTAL SCIENCES↗

Feedback between radiation and transport in photovoltaics

By building on the generalized Hovel model, this work develops an analytical solution to unify photon recycling, light trapping, and carrier transport in solar cells. Enhanced transport due to photon recycling diffusion is considered. While photon recycling diffusion is often negligible, it can significantly support transport in cases where charge diffusion is low but radiative efficiency is high. Next, the diffusion equation is solved to determine carrier collection for planar and textured cells. Results elucidate novel features in the external quantum efficiency (EQE) curve that occur for textured cells with high absorption and limited transport. Then, the effect of limited transport on the radiative recombination of solar cells is investigated in detail. While the traditional treatment of detailed balance uses the applied voltage to calculate a cell's radiative recombination, the present approach uses the spatially resolved quasi-Fermi-level splitting (QFLS). Further, the discrepancy between the models is shown to be inconsequential to performance for cells with low radiative recombination (Si) or with high mobilities (lowly doped GaAs). However, for cells with high radiative recombination and low mobility (highly doped GaAs, polycrystalline CdTe, and thin-film perovskites), incorporating variation in QFLS in the determination of radiative recombination can become necessary for accurate photovoltaic modeling.

14 SOLAR ENERGY↗

Hierarchical top-down bottom-up calibration with consideration for uncertainty and inter-scale discrepancy of Peierls stress of bcc Fe

A hierarchical multiscale model of plasticity in single crystal bcc Fe, framed at the mesoscale pertaining to a statistically representative set of dislocations for each slip system, relies on specification of a set of parameters which are informed using both bottom-up (BU) (atomistic) and top-down (TD) (experimental) information. We term this specification process a 'connection' between BU and TD pathways to inform the mesoscale model. The connection is considered in the presence of error, uncertainty, and discrepancy between the models. Furthermore, we expand upon a previously developed reconciled TD and BU calibration method to account for anticipated discrepancy between information from different length scales. The results of a previously formulated likelihood-based connection test of the multiscale model suggest a 'missing link' may be responsible for part of the inter-scale discrepancy. In this case, this link is assumed to be a relation between the unit-process (single dislocation line) of coordinated kink-pair nucleation on a screw dislocation segment and the many-body dislocation process which manifests in the onset of experimentally observed plastic deformation in a single crystal. A physics-informed discrepancy layer is formulated to improve the connection in the presence of additional persistent uncertainties. This physics-informed hypothesis testing is demonstrated as an alternative to fully data-driven search methods, particularly applicable to datasets of limited size that are often encountered in such multiscale material modeling applications. Discrete dislocation dynamics simulations are used to investigate the effect of the Peierls stress on straight screw dislocations and in the operation of Frank–Read sources. Discussion concerns the critical role of uncertainty quantification in providing a basis for this form of incremental hypothesis testing.

42 ENGINEERING↗