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At least 955 records · Page 53

Implementation of a Tabulated Failure Model Into a Generalized Composite Material Model Suitable for Use in Impact Problems

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites under impact conditions is becoming critical as these materials are gaining increased use in the aerospace and automotive communities. The aerospace community has identified several key capabilities which are currently lacking in the available material models in commercial transient dynamic finite element codes. To attempt to improve the predictive capability of composite impact simulations, a next generation material model is being developed for incorporation within the commercial transient dynamic finite element code LS-DYNA. The material model, which incorporates plasticity, damage and failure, utilizes experimentally based tabulated input to define the evolution of plasticity and damage and the initiation of failure as opposed to specifying discrete input parameters such as modulus and strength. The plasticity portion of the orthotropic, three-dimensional, macroscopic composite constitutive model is based on an extension of the Tsai-Wu composite failure model into a generalized yield function with a non-associative flow rule. For the damage model, a strain equivalent formulation is used to allow for the uncoupling of the deformation and damage analyses. For the failure model, a tabulated approach is utilized in which a stress or strain based invariant is defined as a function of the location of the current stress state in stress space to define the initiation of failure. Failure surfaces can be defined with any arbitrary shape, unlike traditional failure models where the mathematical functions used to define the failure surface impose a specific shape on the failure surface. In the current paper, the complete development of the failure model is described and the generation of a tabulated failure surface for a representative composite material is discussed.

polymer matrix composites↗

Global Total Ozone Recovery Trends Attributed to Ozone-Depleting Substance (ODS) Changes Derived From Five Merged Ozone Datasets

We report on updated trends using different merged zonal mean total ozone datasets from satellite and ground-based observations for the period from 1979 to 2020. This work is an update of the trends reported in Weber et al. (2018) using the same datasets up to 2016. Merged datasets used in this study include NASA MOD v8.7 and NOAA Cohesive Data (COH) v8.6, both based on data from the series of Solar Backscatter Ultraviolet (SBUV), SBUV-2, and Ozone Mapping and Profiler Suite (OMPS) satellite instruments (1978–present), as well as the Global Ozone Monitoring Experiment (GOME)-type Total Ozone – Essential Climate Variable (GTO-ECV) and GOME-SCIAMACHY-GOME-2 (GSG) merged datasets (both 1995–present), mainly comprising satellite data from GOME, SCIAMACHY, OMI, GOME-2A, GOME-2B, and TROPOMI. The fifth dataset consists of the annual mean zonal mean data from ground-based measurements collected at the World Ozone and Ultraviolet Radiation Data Centre (WOUDC). Trends were determined by applying a multiple linear regression (MLR) to annual mean zonal mean data. The addition of 4 more years consolidated the fact that total ozone is indeed slowly recovering in both hemispheres as a result of phasing out ozone-depleting substances (ODSs) as mandated by the Montreal Protocol. The near-global (60° S–60° N) ODS-related ozone trend of the median of all datasets after 1995 was 0.4 ± 0.2 (2σ) %/decade, which is roughly a third of the decreasing rate of 1.5 ± 0.6 %/decade from 1978 until 1995. The ratio of decline and increase is nearly identical to that of the EESC (equivalent effective stratospheric chlorine or stratospheric halogen) change rates before and after 1995, confirming the success of the Montreal Protocol. The observed total ozone time series are also in very good agreement with the median of 17 chemistry climate models from CCMI-1 (Chemistry-Climate Model Initiative Phase 1) with current ODS and GHG (greenhouse gas) scenarios (REF-C2 scenario). The positive ODS-related trends in the Northern Hemisphere (NH) after 1995 are only obtained with a sufficient number of terms in the MLR accounting properly for dynamical ozone changes (Brewer–Dobson circulation, Arctic Oscillation (AO), and Antarctic Oscillation (AAO)). A standard MLR (limited to solar, Quasi-Biennial Oscillation (QBO), volcanic, and El Niño–Southern Oscillation (ENSO)) leads to zero trends, showing that the small positive ODS-related trends have been balanced by negative trend contributions from atmospheric dynamics, resulting in nearly constant total ozone levels since 2000.

Total Column Ozone Trends↗

High-Speed OH-PLIF Diagnostics of Flame Flashback in Low Swirl Hydrogen-Enriched Flames

Hydrogen-enrichment is a potential strategy to reduce carbon emissions for the development of next-generation lean premixed combustors. However, the higher flashback propensity with hydrogen enrichment owing to the faster chemical kinetics is one of the key challenges in existing natural gas turbine combustors. The fundamentals of stabilized flame dynamics and flashback events in a premixed low swirl burner (LSB) configuration are visualized experimentally using nanosecond (ns)-based high-speed hydroxyl radical planar laser-induced fluorescence (OH-PLIF). Swirlers with two different turning angles, 26 and 33 and three different center-body hole diameters, 1.08, 1.12 and 1.16 mm with measured swirl numbers varying from 0.43 to 0.49 are tested in this study at atmospheric temperature and pressure inlet conditions. The inlet conditions are varied systematically with respect to pre-mixer velocities (V), flame equivalence ratio (ϕ) and hydrogen content (X_(H_2 )) for 50%-90% (H2, by mole) H2/ CH4 reactant mixtures and OH-PLIF characterization is performed in a stable flame at 20 kHz repetition rate. An increase in flashback propensity is observed with increasing ϕ, X_(H_2 ) and decreasing V via detailed investigation of flame lift-off length (L) above the burner rim.

Parajuli, Pradeep↗

Application of the joined wing to tiltrotor aircraft

A study was made to determine the potential speed improvements and other benefits resulting from the application of the joined wing concept to tiltrotor aircraft. Using the XV-15 as a baseline, the effect of replacing the cantilever wing by a joined-wing pair was studied. The baseline XV-15 cantilever wing has a thickness/chord ratio of 23 percent. It was found that this wing could be replaced by a joined-wing pair of the same span and total area employing airfoils of 12 percent thickness/chord ratio. The joined wing meets the same static strength requirements as the cantilever wing, but increases the limiting Mach Number of the aircraft from M=0.575 to M=0.75, equivalent to an increase of over 100 knots in maximum speed. The joined wing configuration studied is lighter than the cantilever and has approximately 11 percent less wing drag in cruise. Its flutter speed of 245 knots EAS is not high enough to allow the potential Mach number improvement to be attained at low altitude. The flutter speed can be raised either by employing rotors which can be stopped and folded in flight at speeds below 245 knots EAS, or by modifying the airframe to reduce adverse coupling with the rotor dynamics. Several modifications of wing geometry and nacelle mass distribution were investigated, but none produced a flutter speed above 260 knots EAS. It was concluded that additional research is required to achieve a more complete understanding of the mechanism of rotor/wing coupling.

Wolkovitch, Julian↗

Measurements of Beam Spin Asymmetries in p+p0 and p´p0 Dihadron Production at CLAS12

Semi-Inclusive Deep Inelastic Scattering (SIDIS) is a powerful experimental tool for studying the internal structure and dynamics of the proton, revealing how quarks and gluons are distributed and interact within it. SIDIS describes a process where an elec tron scatters off one of the constituent quarks within the proton, causing it to undergo hadronization, creating multiple hadrons in the final state. Through factorization, the full process can be split into probabilistic components: one which describes the internal structure of the proton using Parton Distribution Functions (PDFs), and another which describes the hadronization process using Fragmentation Functions (FFs). These functions are non-perturbative quantities of Quantum Chromodynamics (QCD), meaning they cannot be calculated directly from first principles and must instead be extracted from experimental measurements. Acommon approach for accessing PDFs and FFs using SIDIS is to measure asymmetries. In this context, asymmetries correspond to subtle differences in the angular distribution of outgoing particles that arise when the spin orientation of the incoming beam or target is reversed. Because many of these effects only appear when spin is involved, they isolate specific, nuanced properties of the proton’s spin-structure that are otherwise hidden in spin averaged measurements. In practice, they show up as specific azimuthal modulations (e.g., sin ¿R, sin(¿h ´ ¿R)), whose amplitudes isolate convolutions of PDFs and FFs at leading and subleading twist. Non-zero asymmetries of these angular distributions can be traced back to unique combinations of PDFs and FFs, offering a way to probe them directly. In this work, we measure SIDIS by analyzing high energy electron-proton scattering events using the CLAS12 detector at Jefferson Lab. This study focuses on subset of SIDIS referred to as dihadron SIDIS, where pairs of hadrons — here p+p0 and p´p0 — are observed. We analyzed these dihadrons using detector data collected during Fall 2018 and Spring 2019, where longitudinally polarized electrons from the CEBAF accelerator were incident on a liquid hydrogen target. A photon classifier using a Gradient Boosted Trees (GBTs) architecture was trained using Monte Carlo simulations to reduce the amount of iv false combinatorial background p0’s. When deployed on experimental data, the model in creases our dihadron statistics by up to five-fold compared to previous CLAS12 p0 analyses. This work reports the first measurements of beam spin asymmetries for p+p0 and p´p0 dihadron production in SIDIS. The measured asymmetries offer new insights to the spin-dependent structure and dynamics within the proton, as well as the spin-dependent properties of quark fragmentation. Non-zero twist-3 sin¿R amplitudes are observed, pro viding sensitivity to the subleading twist PDF e(x). The PDF e(x) encodes quark-gluon correlations within the proton — a property that is otherwise inaccessible at leading twist. Additionally, this work measured significant twist-2 modulations carried by sin(¿h ´ ¿R) and sin(2¿h ´2¿R), providing experimental access to the helicity dihadron fragmentation function (DiFF) GK 1 . Because there is no equivalent quark helicity-dependent FF in single pion SIDIS, the DiFF GK 1 offers a unique lens into novel spin-dependent fragmentation. For instance, the twist-2 modulations observed in this study are enhanced by vector mesons created during fragmentation — a behavior predicted by phenomenological models. This study broadens our understanding of dihadron fragmentation, revealing new details about the flavor and charge dependence of hadronization.

Matousek, Gregory [Duke Univ., Durham, NC (United ↗

Hidden sector monopole dark matter with matter domination

The thermal freeze-out mechanism for relic dark matter heavier than O (10 – 100 TeV) requires cross-sections that violate perturbative unitarity. Yet the existence of dark matter heavier than these scales is certainly plausible from a particle physics perspective, pointing to the need for a non-thermal cosmological history for such theories. Topological dark matter is a well-motivated scenario of this kind. Here the hidden-sector dark matter can be produced in abundance through the Kibble-Zurek mechanism describing the non-equilibrium dynamics of defects produced in a second order phase transition. We revisit the original topological dark matter scenario, focusing on hidden-sector magnetic monopoles, and consider more general cosmological histories. We find that a monopole mass of order (1–10 5 ) PeV is generic for the thermal histories considered here, if monopoles are to entirely reproduce the current abundance of dark matter. In particular, in a scenario involving an early era of matter domination, the monopole number density is always less than or equal to that in a pure radiation dominated equivalent provided a certain condition on critical exponents is satisfied. This results in a larger monopole mass needed to account for a fixed relic abundance in such cosmologies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Exploring the Frontiers of Energy Efficiency using Power Management at System Scale

In the face of surging power demands for exascale HPC systems, this work tackles the critical challenge of understanding the impact of software-driven power management techniques like Dynamic Voltage and Frequency Scaling (DVFS) and Power Capping. These techniques have been actively developed over the past few decades. By combining insights from GPU benchmarking to understand application power profiles, we present a telemetry data-driven approach for deriving energy savings projections. This approach has been demonstrably applied to the Frontier supercomputer at scale. Our findings based on three months of telemetry data indicate that, for certain resource-constrained jobs, significant energy savings (up to 8.5%) can be achieved without compromising performance. This translates to a substantial cost reduction, equivalent to 1438 MWh of energy saved. The key contribution of this work lies in the methodology for establishing an upper limit for these best-case scenarios and its successful application. This work enables HPC professionals to optimize the power-performance trade-off within constrained power budgets, not only for the exascale era but also beyond.

Karimi, Ahmad Maroof↗

Atomic oxygen in the lower thermosphere

The 63-micron line due to thermospheric atomic oxygen O(P-3), using a far-infrared spectrometer on a balloon platform at 37 km altitude over Palestine, TX, on June 20, 1983. From measurements of the equivalent width of this line at two elevation angles, a weak angular dependence is found: the equivalent width increases by a factor of 1.5 + or - 0.3 as the angle decreases from +30 deg to +1 deg. Since the optical depth of the O(P-3) line is large, the measured line intensity cannot be directly converted to a column abundance. Instead, the measurements are interpreted in terms of radiative transfer through a 16-layer atmosphere extending to 200 km. A model atmosphere for summer at 30 deg N, with an exospheric temperature of 1300 K, including an assumed daytime atomic oxygen abundance profile constructed from recent chemical and dynamical models and a water vapor abundance profile constructed from recent experimental and model results is used. For this assumed O(P-3) vertical profile shape a multiplicative scaling factor of 0.8, with an altitude-dependent uncertainty is determined. In the best-determined layer the uncertainty in the multiplier is + or - 0.2 at 119 km. The model-dependent peak atomic oxygen density is 3.6 (+ or - 1.9) x 10 to the 11th/cu cm at an altitude of about 101 km.

Lin, Florence J.↗

Implicit Thermochemical Nonequilibrium Flow Simulations on Unstructured Grids using GPUs

Thermochemical nonequilibrium flow simulation capabilities have been previously implemented, verified, and validated for central processing unit (CPU) systems in NASA’s unstructured-grid computational fluid dynamics solver FUN3D. Many exascale-class high-performance computing systems will rely on graphics processing unit (GPU) architectures for high throughput and energy efficiency; thus, CPU-based scientific computing software unable to effectively utilize these systems must be updated. In this work, we present a CUDA C++ implementation of FUN3D’s thermochemical nonequilibrium flow simulation capabilities targeting NVIDIA Tesla GPUs. An overview of the porting and optimization strategy is described and performance comparisons with other recent architectures are presented. Scaling to thousands of GPUs is demonstrated, yielding computational performance equivalent to that of several million CPU cores. The implementation enables efficient, high-fidelity, scale-resolving simulations of thermochemical nonequilibrium flows for many applications including atmospheric entry, hypersonics, and combustion.

GPU↗

Korean coastal water depth/sediment and land cover mapping (1:25,000) by computer analysis of LANDSAT imagery

Computer analysis was applied to single date LANDSAT MSS imagery of a sample coastal area near Seoul, Korea equivalent to a 1:50,000 topographic map. Supervised image processing yielded a test classification map from this sample image containing 12 classes: 5 water depth/sediment classes, 2 shoreline/tidal classes, and 5 coastal land cover classes at a scale of 1:25,000 and with a training set accuracy of 76%. Unsupervised image classification was applied to a subportion of the site analyzed and produced classification maps comparable in results in a spatial sense. The results of this test indicated that it is feasible to produce such quantitative maps for detailed study of dynamic coastal processes given a LANDSAT image data base at sufficiently frequent time intervals.

Park, K. Y.↗

Minimal norm constrained interpolation

In computational fluid dynamics and in CAD/CAM, a physical boundary is usually known only discreetly and most often must be approximated. An acceptable approximation preserves the salient features of the data such as convexity and concavity. In this dissertation, a smooth interpolant which is locally concave where the data are concave and is locally convex where the data are convex is described. The interpolant is found by posing and solving a minimization problem whose solution is a piecewise cubic polynomial. The problem is solved indirectly by using the Peano Kernal theorem to recast it into an equivalent minimization problem having the second derivative of the interpolant as the solution. This approach leads to the solution of a nonlinear system of equations. It is shown that Newton's method is an exceptionally attractive and efficient method for solving the nonlinear system of equations. Examples of shape-preserving interpolants, as well as convergence results obtained by using Newton's method are also shown. A FORTRAN program to compute these interpolants is listed. The problem of computing the interpolant of minimal norm from a convex cone in a normal dual space is also discussed. An extension of de Boor's work on minimal norm unconstrained interpolation is presented.

Irvine, L. D.↗

Large HAWT wake measurement and analysis

From the theoretical fluid dynamics point of view, the wake region of a large horizontal-axis wind turbine has been defined and described, and numerical models of wake behavior have been developed. Wind tunnel studies of single turbine wakes and turbine array wakes have been used to verify the theory and further refine the numerical models. However, the effects of scaling, rotor solidity, and topography on wake behavior are questions that remain unanswered. In the wind tunnel studies, turbines were represented by anything from scaled models to tea strainers or wire mesh disks whose solidity was equivalent to that of a typical wind turbine. The scale factor compensation for the difference in Reynolds number between the scale model and an actual turbine is complex, and not typically accounted for. Though it is wise to study the simpler case of wakes in flat topography, which can be easily duplicated in the wind tunnel, current indications are that wind turbine farm development is actually occurring in somewhat more complex terrain. Empirical wake studies using large horizontal-axis wind turbines have not been thoroughly composited, and, therefore, the results have not been applied to the well-developed theory of wake structure. The measurement programs have made use of both in situ sensor systems, such as instrumented towers, and remote sensors, such as kites and tethered, balloonborne anemometers. We present a concise overview of the work that has been performed, including our own, which is based on the philosophy that the MOD-2 turbines are probably their own best detector of both the momentum deficit and the induced turbulence effect downwind. Only the momentum deficit aspects of the wake/machine interactions have been addressed. Both turbine power output deficits and wind energy deficits as measured by the onsite meteorological towers have been analyzed from a composite data set. The analysis has also evidenced certain topographic influences on the operation of spatially diverse wind turbines.

Miller, A. H.↗

Development of a Computational Fluid Dynamics Model for a High-Speed Centrifugal Compressor

Computational fluid dynamics (CFD) has become widely used in the design and analysis of turbomachinery components such as centrifugal compressors. However, CFD is only a limited representation of experimental cases and struggles to model complex flows or can lack small model details to increase computation speed. To make advancements in compressor technology, designers need tools like CFD that can help them predict flow behavior in new designs. The High Efficiency Centrifugal Compressor (HECC) was designed by United Technologies Research Center (UTRC) for NASA to investigate the difficulties behind improving centrifugal compressor technology and to provide an open case to the turbomachinery research community. CFD analysis was completed by UTRC to aid in the design process. The pre-test study significantly overpredicted the compressor’s performance, and while post-test analysis was more representative, its results have yet to be publicly available. CFD technology has also since improved in recent years. In this study, a high-fidelity computational model for the vaneless configuration of HECC operating at its design point was developed and compared to an equivalent experimental case. This model incorporated GPU versions of mesh generation and solver codes from AeroDynamic Solutions, Inc. The development of such a model is significant since there has yet to be a published numerical simulation of HECC’s vaneless configuration. Additionally, the use of GPU codes decreases computation times for the model, which has allowed for the inclusion of impeller blade fillets. Initial results showed a general overprediction of compressor performance by the model. Predictions were more accurate for the impeller compared to predictions for the full compressor stage. Spanwise analyses showed that the model tended to follow flow behavior patterns exhibited in the experiment. Beyond this study, this model will be iterated upon and experimentally validated to further examine HECC performance.

centrifugal compressor↗

Studies of the dynamics of the twin-lift system

A full set of equations of motion for the twin lift system, linearized about a hover trim condition were derived and presented. It is shown that this full set of equations of motion decouples into simpler sets of equations of motion if the aerodynamic coupling derivatives of the helicopters are neglected. One of these decoupled sets of equations of motion (referred to as the planar set) was studied at length. The other decoupled set (referred to as the nonplanar set) is examined here. It is shown that when the geometric configuration of the twin-lift is symmetric that a further decoupling is possible into antisymmetric and symmetric sets of equations. One set of these reduced equations of motion referred to as the antisymmetric set is directly equivalent to the longitudinal motion of a single helicopeter with a sling load. The second set, referred to as the symmetric set corresponds to the rotation of the entire system without load motion. As in the case of the planar symmetric motion, the location of the tether attachment point influences the stability of the nonplanar symmetric mode. The trend is opposite however in the nonplanar case in that an attachment point below the helicopter center of gravity gives a favorable effect on the stability. The effect is not as strong however as the unfavorable effect on the planar symmetric mode.

Curtiss, H. C., Jr.↗

Analysis of Benefits Associated With Projects and Technologies Supported by the Clean Transportation Program

The California Energy Commission's Clean Transportation Program (CTP) supports a wide range of alternative, low-carbon fuel and vehicle projects. This report improves upon the 2014 Alternative and Renewable Fuel and Vehicle Technology Program (ARFVTP) Benefits Report(the former name of the Clean Transportation Program), which focused on two components of benefit calculation: expected benefits and market transformation benefits. The "expected benefits" are defined as benefits that accrue because of the direct displacement of petroleum-based fuels or vehicle technologies. The "market transformation benefits" accrue because of CTP funding shifting the underlying market dynamics and accelerating the adoption of alternative fuel vehicles. This report documents the updated methods used in the benefits analysis in 2014 and applies them for this 2021 Clean Transportation Program Benefits Report. The project team used data collected from CTP projects funded from 2009 to the third quarter of 2021 to estimate the benefits between 2021 and 2030. CTP projects valued at $\$898.3 million$ were assessed (out of $\$1.04 billion$ funded) to estimate expected benefits of 249 million gallons per year petroleum reduction and 2.79 million metric tons per year of carbon dioxide equivalent greenhouse gas (GHG) reduction in 2030. Market transformation benefits are additive to the expected benefits and were estimated with high and low ranges for the 315 relevant projects evaluated. The market transformation benefits' GHG reductions are estimated as 2.2 million to 6.2 million metric tons of carbon dioxide equivalent per year and the petroleum reductions as 145.3 million to 671.5 million gasoline gallon equivalents per year in 2030. Combining both benefit types, the CTP projects can make significant progress toward meeting California's long-term GHG and petroleum fuel use reduction goals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Numerical Analysis of Blast Effects and Mitigation in the Far-Field from Small Explosions

Requirements for explosive safety are often given in terms of a “K-Factor”, correlating incident blast effects with the distance and TNT equivalent weight of an explosion. Traditionally, this is conducted using empirical correlations to experimental measurements (e.g., the Kingery–Bulmash equations). In the far-field, empirical verification of incident overpressure and impulse magnitudes can be difficult; extrapolations from data give expected values at reasonable standoff distances that sometimes are too small to measure on available equipment but are larger than some regulations require. The present paper describes the results of numerical hydrocode analysis to verify the expected incident overpressure and impulse from small hemispherical ground charges of TNT at these relatively large distances. Furthermore, the dynamic effect of incident blast waves on lightweight, modular mitigation barriers is studied to gauge their effectiveness at providing safety standard compliance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Time-Variable Gravity Signal due to Extratropic Pacific Water Mass Redistribution

Using the satellite-laser-ranging (SLR) data, Cox and Chao [2002] reported the detection of a large post-1998 anomaly (in the form of a positive jump) in the time series of Earth s lowest-degree gravity harmonic 52, or the dynamic oblateness. Among several groups now examining the mass redistribution in the global geophysical fluids in search of the cause(s), we report here a temporally coinciding anomalies found in the extratropic north + south Pacific basins. Clearly seen in the leading EOFPC mode for extratropic Pacific, these anomalies occurred in sea-surface height, sea-surface temperature, and temperature- and salinity-depth profiles. We based our analysis on two different data sources: TOPEX/Poseidon altimetry, and the ECCO ocean general circulation model output assimilating T/P data. The magnitude of these changes, when converted to equivalent J2 change, appears to be a few times too small to explain the observed J2 directly. These findings, and the fact that the anomalies occurred following the strong 1997-98 El Nino, suggest strong geophysical connection of the interannual-to-decadal variation of 52 with the Pacific Decadal Oscillation (PDO) and the ultimate global-change processes that cause PDO. More work is underway, and additional independent data sources are examined, paying close attention to the fact that the J2 anomaly has been reversing back to normal since 2001. These include: (1) cryospheric contributions (melting of glaciers and ice sheets); (2) land hydrological contributions; (3) polar sea influences ( e g , via deep flow); (4) fluid flow in Earth's core; (5) time-variable gravity signals from SLR in higher harmonic degree/order, including J3,J4, (2,1), and (2,2) coefficients, considering their lower signal-to-noise ratios; (6) Earth rotation data in terms of length-of-day and polar motion.

Chao, B. F.↗

Sparse thermal data for cellular automata modeling of grain structure in additive manufacturing

Grain growth in the wake of the melt pool formed during alloy-based additive manufacturing (AM) is complex and multifaceted, depending on parameters governing heat transport, fluid flow, and solidification itself. Cellular automata (CA) models have proven effective in providing computationally efficient and physically sound predictions of grain structure for several AM problems, but their efficiency is tied to the performance of heat transport models. CA models use only a small portion of the problem's temperature data (near the moving melt pool boundary), and much of the CA calculations do not affect the final result due to re-melting of material. Coupling of and communication between heat transport and solidification models, and eliminating operations irrelevant towards final grain structure prediction, will be necessary for using these methods for efficient simulation of large parts. In this work, we introduce a procedure of decoupling the CA from temperature field simulation, using files of relevant temperature data written by the heat transport model. This approach is validated against the standard coupling approach using data obtained through the computational fluid dynamics software OpenFOAM. Negligible differences are seen in grain size, volume, and texture distributions for multilayer simulation of test problems, while the quantity of temperature data for these test problems was reduced by four orders of magnitude (from 100s of GB to 10s of MB) and the code performance sped up by a factor of around 50. Furthermore, variability in microstructure as a function of cell size, substrate, time step, and nucleation parameters is studied, and it is found that cell sizes less than or equal to 1.67 μm and sufficiently small time steps yield Αstatistically equivalent microstructures. Finally, a potential use case for this CA approach—the layer-wise convergence in grain structure starting from extremes in initial grain size—is examined. This approach's ability to simulate expected trends in nucleation and epitaxial grain growth for large regions of microstructure, simulated independently of heat transport models themselves, should prove useful for investigation of various microstructure uncertainties and prediction of part-scale experimental results.

36 MATERIALS SCIENCE↗