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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

SU-E-J-212: Identifying Bones From MRI: A Dictionary Learnign and Sparse Regression Approach

Purpose: To develop an efficient and robust scheme to identify bony anatomy based on MRI-only simulation images. Methods: MRI offers important soft tissue contrast and functional information, yet its lack of correlation to electron-density has placed it as an auxiliary modality to CT in radiotherapy simulation and adaptation. An effective scheme to identify bony anatomy is an important first step towards MR-only simulation/treatment paradigm and would satisfy most practical purposes. We utilize a UTE acquisition sequence to achieve visibility of the bone. By contrast to manual + bulk or registration-to identify bones, we propose a novel learning-based approach for improved robustness to MR artefacts and environmental changes. Specifically, local information is encoded with MR image patch, and the corresponding label is extracted (during training) from simulation CT aligned to the UTE. Within each class (bone vs. nonbone), an overcomplete dictionary is learned so that typical patches within the proper class can be represented as a sparse combination of the dictionary entries. For testing, an acquired UTE-MRI is divided to patches using a sliding scheme, where each patch is sparsely regressed against both bone and nonbone dictionaries, and subsequently claimed to be associated with the class with the smaller residual. Results: The proposed method has been applied to the pilot site of brain imaging and it has showed general good performance, with dice similarity coefficient of greater than 0.9 in a crossvalidation study using 4 datasets. Importantly, it is robust towards consistent foreign objects (e.g., headset) and the artefacts relates to Gibbs and field heterogeneity. Conclusion: A learning perspective has been developed for inferring bone structures based on UTE MRI. The imaging setting is subject to minimal motion effects and the post-processing is efficient. The improved efficiency and robustness enables a first translation to MR-only routine. The scheme generalizes to multiple tissue classes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

The impact of low-Z and high-Z metal implants in IMRT: A Monte Carlo study of dose inaccuracies in commercial dose algorithms

Purpose: The aim of the study was to evaluate the dosimetric impact of low-Z and high-Z metallic implants on IMRT plans. Methods: Computed tomography (CT) scans of three patients were analyzed to study effects due to the presence of Titanium (low-Z), Platinum and Gold (high-Z) inserts. To eliminate artifacts in CT images, a sinogram-based metal artifact reduction algorithm was applied. IMRT dose calculations were performed on both the uncorrected and corrected images using a commercial planning system (convolution/superposition algorithm) and an in-house Monte Carlo platform. Dose differences between uncorrected and corrected datasets were computed and analyzed using gamma index (Pγ{sub <1}) and setting 2 mm and 2% as distance to agreement and dose difference criteria, respectively. Beam specific depth dose profiles across the metal were also examined. Results: Dose discrepancies between corrected and uncorrected datasets were not significant for low-Z material. High-Z materials caused under-dosage of 20%–25% in the region surrounding the metal and over dosage of 10%–15% downstream of the hardware. Gamma index test yielded Pγ{sub <1}>99% for all low-Z cases; while for high-Z cases it returned 91% < Pγ{sub <1}< 99%. Analysis of the depth dose curve of a single beam for low-Z cases revealed that, although the dose attenuation is altered inside the metal, it does not differ downstream of the insert. However, for high-Z metal implants the dose is increased up to 10%–12% around the insert. In addition, Monte Carlo method was more sensitive to the presence of metal inserts than superposition/convolution algorithm. Conclusions: The reduction in terms of dose of metal artifacts in CT images is relevant for high-Z implants. In this case, dose distribution should be calculated using Monte Carlo algorithms, given their superior accuracy in dose modeling in and around the metal. In addition, the knowledge of the composition of metal inserts improves the accuracy of the Monte Carlo dose calculation significantly.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2025

PyCMG-based Simulation of Volumetric Concrete Microstructure

Concrete is a complex, heterogeneous material with a microstructure composed of aggregates, cement paste, and pores spanning multiple length scales. Understanding this microstructure is critical for advancing the performance, durability, and modeling of concrete-based systems. While experimental imaging such as X-ray computed tomography (XCT) provides valuable insights, generating large datasets with detailed ground truth annotations is both costly and labor-intensive due to challenges in segmenting similar phases, such as aggregates and cement paste, that often share similar attenuation properties. To address this, we developed a pipeline to simulate realistic 3D concrete microstructures using the open-source Python package PyCMG. This simulation effort focuses on generating high-fidelity, annotated microstructures that can serve as training or benchmarking datasets for image analysis, segmentation algorithms, and machine learning models, particularly in scenarios where experimental data is scarce.

Ziabari, Amir [Oak Ridge National Laboratory; ORNL↗
DOE OSTI2019

Finite-temperature simulation of anharmonicity and octahedral tilting transitions in halide perovskites

Octahedral tilting transitions are observed in most inorganic halide perovskites and play an important role in determining their functional and thermodynamic properties. Despite existing near room temperature, the cubic and tetragonal forms of halide perovskites become dynamically unstable at low temperature, making it impossible to study their thermodynamic properties with commonly used quasiharmonic models. An anharmonic vibrational Hamiltonian is constructed that accurately reproduces the low-energy portion of the potential-energy surface of the halide perovskite CsPbBr 3 . The Hamiltonian is validated using a large first-principles dataset of energies calculated within density functional theory for large-amplitude deformations of the CsPbBr 3 crystal. Monte Carlo simulations performed on the Hamiltonian reproduce the orthorhombic-tetragonal-cubic phase transitions observed in CsPbBr 3 and many other halide perovskites, demonstrating the importance of anharmonic vibrational excitations in stabilizing the tetragonal and cubic phases in these materials. Measures of local structure and octahedral tilting in the cubic and tetragonal phases, obtained from Monte Carlo simulations, confirm the connection between large anisotropic displacement factors and octahedral tilting, as observed experimentally.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Custom-trained Machine-learning Interatomic Potentials: ZnCl2 Aqueous Solution

This dataset was generated using an iterative active-learning strategy implemented in the ArcaNN software package (https://github.com/arcann-chem/arcann_training) to train machine-learning interatomic potentials for aqueous ZnCl2 solutions. Each active-learning cycle consisted of three stages: training, exploration, and labeling. The initial training set combined configurations generated in this work from enhanced-sampling ab initio molecular dynamics simulations with configurations from a previously reported neural-network-potential study of aqueous ZnCl2. The enhanced-sampling ab initio molecular dynamics simulations involved Zn–Cl separation and the chloride coordination number around Zn²? as collective variables. These configurations served as the seed dataset. Subsequent active-learning cycles expanded the training set by identifying and labeling configurations that were poorly represented by the current models, thereby improving coverage of ion-association states and changes in local coordination and charge-state environments relevant to the solution free-energy landscape. For all selected configurations, single-point calculations of the total energies and atomic forces were performed within density functional theory using the CP2K Quickstep module. Reference calculations employed the revPBE-D3 and r2SCAN exchange-correlation functionals. Motivated by recent work on aqueous Zn²?, the main revPBE calculations omitted D3 dispersion contributions involving Zn²?, while retaining the D3 correction for water and chloride. For comparison, fully dispersion-corrected revPBE-D3 reference calculations were also performed, with D3 applied to all species, including Zn²?. Valence electrons were treated explicitly, while core electrons were represented using norm-conserving Goedecker–Teter–Hutter pseudopotentials. The wave functions were expanded using the mixed Gaussian-and-plane-wave scheme with TZV2P-MOLOPT basis sets for all elements and a 600 Ry auxiliary plane-wave cutoff for the electron density. Self-consistent-field convergence was accelerated using the orbital-transformation and Direct Inversion in the Iterative Subspace algorithms, with a convergence threshold of 10?6. All single-point calculations were performed in periodic orthorhombic cells. The CELL_REF keyword in CP2K was used to define a fixed reference cell with a box length of 25 Å. This treatment ensured a consistent reference for configurations extracted from NpT trajectories with fluctuating cell dimensions. The resulting DFT energies and atomic forces constitute the ground-truth labels used to train the MLIPs. The resulting MLIP was trained for aqueous ZnCl2 solutions spanning concentrations from 0 to 30 molal and a broad pH range, from strongly acidic to strongly basic conditions. Representative examples of configurations included in the MLIP training dataset are provided below. These include 1) Representative configurations from the dataset labeled at the revPBE-D3 level, with D3 dispersion interactions involving Zn2+ excluded (revPBE-wo-D3). 2) Representative configurations from the dataset labeled at the fully dispersion-corrected revPBE-D3 level, with D3 interactions applied to all species, including Zn2+ (revPBE-D3). 3) Representative configurations from the dataset labeled at the r2SCAN level of theory (r2SCAN).

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗
DOE OSTI2020

Enabling robust offline active learning for machine learning potentials using simple physics-based priors

Abstract Machine learning surrogate models for quantum mechanical simulations have enabled the field to efficiently and accurately study material and molecular systems. Developed models typically rely on a substantial amount of data to make reliable predictions of the potential energy landscape or careful active learning (AL) and uncertainty estimates. When starting with small datasets, convergence of AL approaches is a major outstanding challenge which has limited most demonstrations to online AL. In this work we demonstrate a Δ-machine learning (ML) approach that enables stable convergence in offline AL strategies by avoiding unphysical configurations with initial datasets as little as a single data point. We demonstrate our framework’s capabilities on a structural relaxation, transition state calculation, and molecular dynamics simulation, with the number of first principle calculations being cut down anywhere from 70%–90%. The approach is incorporated and developed alongside AMP torch , an open-source ML potential package, along with interactive Google Colab notebook examples.

Shuaibi, Muhammed↗
NASA NTRS2012

The SPoRT-WRF: Evaluating the Impact of NASA Datasets on Convective Forecasts

The Short-term Prediction Research and Transition Center (SPoRT) is a collaborative partnership between NASA and operational forecasting entities, including a number of National Weather Service offices. SPoRT transitions real-time NASA products and capabilities to its partners to address specific operational forecast challenges. One challenge that forecasters face is applying convection-allowing numerical models to predict mesoscale convective weather. In order to address this specific forecast challenge, SPoRT produces real-time mesoscale model forecasts using the Weather Research and Forecasting (WRF) model that includes unique NASA products and capabilities. Currently, the SPoRT configuration of the WRF model (SPoRT-WRF) incorporates the 4-km Land Information System (LIS) land surface data, 1-km SPoRT sea surface temperature analysis and 1-km Moderate resolution Imaging Spectroradiometer (MODIS) greenness vegetation fraction (GVF) analysis, and retrieved thermodynamic profiles from the Atmospheric Infrared Sounder (AIRS). The LIS, SST, and GVF data are all integrated into the SPoRT-WRF through adjustments to the initial and boundary conditions, and the AIRS data are assimilated into a 9-hour SPoRT WRF forecast each day at 0900 UTC. This study dissects the overall impact of the NASA datasets and the individual surface and atmospheric component datasets on daily mesoscale forecasts. A case study covering the super tornado outbreak across the Ce ntral and Southeastern United States during 25-27 April 2011 is examined. Three different forecasts are analyzed including the SPoRT-WRF (NASA surface and atmospheric data), the SPoRT WRF without AIRS (NASA surface data only), and the operational National Severe Storms Laboratory (NSSL) WRF (control with no NASA data). The forecasts are compared qualitatively by examining simulated versus observed radar reflectivity. Differences between the simulated reflectivity are further investigated using convective parameters along with model soundings to determine the impacts of the various NASA datasets. Additionally, quantitative evaluation of select meteorological parameters is performed using the Meteorological Evaluation Tools model verification package to compare forecasts to in situ surface and upper air observations.

Zavodsky, Bradley↗
NASA NTRS1998

SPARCLE: Validation of Observing System Simulations (SPace Readiness Coherent Lidar Experiment)

NASA recently approved a mission to fly a Doppler Wind Lidar (DWL) on a U.S. Space Shuttle. SPARCLE, managed by Marshall Space Flight Center in Huntsville, AL, is targeted for launch in March 2001. This mission is viewed as a necessary demonstration of a solid state (2 micron) lidar using coherent detection before committing resources to a 3-5 year research or operational mission. While, to many, this shuttle mission is seen as the first step in a series leading to a fully operational wind observing system, to others, it is a chance to validate predictions of performance based upon theoretical models, analyses of airborne and ground-based data, and sophisticated observing system simulation experiments. This paper will be presented in two parts: first a brief overview of the SPARCLE mission and second, a summary of current performance predictions and key contributions from ground- based and airborne DWL research. The SPARCLE instrument is a 100 mJ, 6 Hz, diode-pumped 2-micron laser with a .25 m telescope using heterodyne mixing in a fiber and an InGaAs detector. A 25 cm silicon wedge scanner will be used in step-stare modes with dwells ranging from 60 seconds to .5 seconds. Pointing knowledge is achieved with a dedicated GPS/INS mounted close to the lidar. NASA's Hitchhiker program is providing the instrument enclosures (2 cans) and mission logistics support. An on-board data system is sized to record 150 Gbytes of raw signal from a two 400 MHZ A/D converters. On-board signal processing will be used to control the frequency of the Local Oscillator. SPARCLE is predicted to have a single shot backscatter sensitivity near 1x10(exp -6) m-1 sr-1, To achieve higher sensitivity, shot accumulation will be employed. Ground-based, 2 micron DWLs have been used to assess the benefits of shot accumulation (approximately SQRT for SNR). Airborne programs like MACAWS have provided good datasets for evaluating various sampling strategies and signal processing algorithms. Using these real data to calibrate our simulation models, we can describe when and how well SPARCLE is expected to preform. Outputs from these performance models will be presented.

Emmitt, G. D.↗
DOE OSTI2025

CaloChallenge 2022: a community challenge for fast calorimeter simulation

Here, we present the results of the ‘Fast Calorimeter Simulation Challenge 2022’—the CaloChallenge. We study state-of-the-art generative models on four calorimeter shower datasets of increasing dimensionality, ranging from a few hundred voxels to a few tens of thousand voxels. The 31 individual submissions span a wide range of current popular generative architectures, including variational autoencoders (VAEs), generative adversarial networks (GANs), normalizing flows, diffusion models, and models based on conditional flow matching. We compare all submissions in terms of quality of generated calorimeter showers, as well as shower generation time and model size. To assess the quality we use a broad range of different metrics including differences in one-dimensional histograms of observables, KPD/FPD scores, AUCs of binary classifiers, and the log-posterior of a multiclass classifier. The results of the CaloChallenge provide the most complete and comprehensive survey of cutting-edge approaches to calorimeter fast simulation to date. In addition, our work provides a uniquely detailed perspective on the important problem of how to evaluate generative models. As such, the results presented here should be applicable for other domains that use generative AI and require fast and faithful generation of samples in a large phase space.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

PemNet: A Transfer Learning-Based Modeling Approach of High-Temperature Polymer Electrolyte Membrane Electrochemical Systems

Widespread adoption of high-temperature electrochemical systems such as polymer electrolyte membrane fuel cells (HT-PEMFCs) requires models and computational tools for accurate optimization and guiding new materials for enhancing fuel cell performance and durability. Furthermore, while robust and better suited for extrapolation, knowledge-based modeling has limitations as it is time-consuming and requires information about the system that is not always available (e.g., material properties and interfacial behavior between different materials). Data-driven modeling, on the other hand, is easier to implement but often necessitates large datasets that could be difficult to obtain. In this contribution, knowledge-based modeling and data-driven modeling are combined by implementing a few-shot learning (FSL) approach. A knowledge-based model originally developed for a HT-PEMFCs was used to generate simulated data (887,735 points) and used to pretrain a neural network source model tuned via a genetic algorithm-based AutoML. Then, experimental datasets from HT-PEMFCs with different materials and operating conditions (~50 points each) were used to train six target models via FSL. Models for the unseen data reached high accuracies in all cases (rRMSE < 10%).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Analysis of Fire-Induced Circulations during the FireFlux2 Experiment

Despite recent advances in both coupled fire modeling and measurement techniques to sample the fire environment, the fire–atmosphere coupling mechanisms that lead to fast propagating wildfires remain poorly understood. This knowledge gap adversely affects fire management when wildland fires propagate unexpectedly rapidly and shift direction due to the fire impacts on local wind conditions. In this work, we utilized observational data from the FireFlux2 prescribed burn and numerical simulations performed with a coupled fire–atmosphere model WRF-SFIRE to assess the small-scale impacts of fire on local micrometeorology under moderate wind conditions (10–12 m/s). The FireFlux2 prescribed burn provided a comprehensive observational dataset with in situ meteorological observations as well as IR measurements of fire progression. To directly quantify the effects of fire–atmosphere interactions, two WRF-SFIRE simulations were executed. One simulation was run in a two-way coupled mode in which the heat and moisture fluxes emitted from the fire were injected into the atmosphere, and the other simulation was performed in a one-way coupled mode for which the atmosphere was not affected by the fire. The difference between these two simulations was used to analyze and quantify the fire impacts on the atmospheric circulation at different sections of the fire front. The fire-released heat fluxes resulted in vertical velocities as high as 10.8 m/s at the highest measurement level (20 m above ground level) gradually diminishing with height and dropping to 7.9 m/s at 5.77 m. The fire-induced horizontal winds indicated the strongest fire-induced flow at the lowest measurement levels (as high as 3.3 m/s) gradually decreasing to less than 1 m/s at 20 m above ground level. The analysis of the simulated flow indicates significant differences between the fire-induced circulation at the fire head and on the flanks. The fire-induced circulation was much stronger near the fire head than at the flanks, where the fire did not produce particularly strong cross-fire flow and did not significantly change the lateral fire progression. However, at the head of the fire the fire-induced winds blowing across the front were the strongest and significantly accelerated fire progression. The two-way coupled simulation including the fire-induced winds produced 36.2% faster fire propagation than the one-way coupled run, and more realistically represented the fire progression.

Benik, Jeremy T.↗
DOE OSTI2022

An improved pressure drop correlation for modeling localized effects in a pebble bed reactor

Advances in the development of pebble bed reactors (PBRs) has created a desire for accurate and cost-effective simulation tools for design scoping studies and safety analysis. The current state-of-the-art for these simulations is the use of porous media models, although these models rely on correlations to capture the effects of flow features that are not explicitly modeled. One of the areas where correlation accuracy is currently lacking is in the near-wall region of the bed. In this region, the presence of the wall causes the pebbles to pack more orderly, drastically changing the geometry and flow behavior in this region. This work presents a new generalized pressure drop correlation for PBRs based on the KTA equation. A high-to-low methodology is applied, where large eddy simulation (LES) is performed on two beds of 1568 and 1700 pebbles to generate a high-fidelity dataset. The flow fields are then averaged in time and separated into concentric rings of 0.05 D peb width. Average porosity, velocity, and pressure drop are extracted for each ring and the friction and form losses are calculated. The Reynolds number range for this study is 625–10,000, and thus the form losses are dominant over the friction losses. The form losses across the rings are investigated, and a correction term for the form loss calculation is determined and applied to the KTA equation to drastically improve the capability of modeling localized porosity effects in a porous media code. Finally, the improved correlation reduces near-wall velocity prediction error from over 50% with the KTA correlation to around 5%. Agreement in pressure drop prediction between LES and porous media simulations is also improved.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties

Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology. Large scale screening of polymer electrolytes is hindered by the significant cost of molecular dynamics (MD) simulation in amorphous systems: the amorphous structure of polymers requires multiple, repeated sampling to reduce noise and the slow relaxation requires long simulation time for convergence. Here, we accelerate the screening with a multi-task graph neural network that learns from a large amount of noisy, unconverged, short MD data and a small number of converged, long MD data. We achieve accurate predictions of 4 different converged properties and screen a space of 6247 polymers that is orders of magnitude larger than previous computational studies. Further, we extract several design principles for polymer electrolytes and provide an open dataset for the community. Our approach could be applicable to a broad class of material discovery problems that involve the simulation of complex, amorphous materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Variability of near-fault seismic risk to reinforced concrete buildings based on high-resolution physics-based ground motion simulations

Broadband physics-based simulated earthquake ground motions are utilized to characterize the regional-scale seismic risk to modern reinforced concrete (RC) structures. A highly dense dataset of ground motions covering a 100-km urn:x-wiley:00988847:media:eqe3413:eqe3413-math-0001 40-km domain was generated using kinematic fault rupture models with varying rupture characteristics to represent shallow crustal earthquakes and resolved up to frequencies of 5 Hz. Over 40,000 nonlinear response history simulations of short- and mid-rise RC special moment frame buildings were conducted using simulation models that are capable of representing nonlinear behavior and component deterioration effects. The spatial variability of structural risk within a single earthquake scenario and between different rupture scenarios is examined, and the regions of strongest directivity effects and highest structural demands are identified. The structural demands may vary by factor of up to 8.0 at very short distances from the fault, and the large dispersion in the demands decreases significantly beyond a distance of 15 km. The interstory drift and member rotation demands are substantially impacted by important features of the geological structure and the characteristics of the rupture scenarios, particularly the presence of localized high-slip regions. The frequency characteristics of the structures are found to play an important role in determining the effects of near-fault ground motions on the structural response and expected damage. The results of this study suggest that the simulated ground motions, particularly those generated using the hybrid rupture approach, may offer reasonable structural risk estimates for low-frequency structures and conservative estimates for high-frequency structures.

58 GEOSCIENCES↗
DOE OSTI2018

Simulated building energy demand biases resulting from the use of representative weather stations

Numerical building models are typically forced with weather data from a limited number of “representative cities” or weather stations representing different climate regions. The use of representative weather stations reduces computational costs, but often fails to capture spatial heterogeneity in weather that may be important for simulations aimed at understanding how building stocks respond to a changing climate. We quantify the potential reduction in bias from using an increasing number of weather stations over the western U.S. The approach is based on deriving temperature and load time series using incrementally more weather stations, ranging from 8 to roughly 150, to capture weather across different seasons. Using 8 stations, one from each climate zone, across the western U.S. results in an average absolute summertime temperature bias of 7.2°F with respect to a spatially-resolved gridded dataset. The mean absolute bias drops to 2.8°F using all available weather stations. Temperature biases of this magnitude could translate to absolute summertime mean simulated load biases as high as 13.8%, a significant error for capacity expansion planners who may use these types of simulations. Increasing the size of the domain over which biases are calculated reduces their magnitude as positive and negative biases may cancel out. Using 8 representative weather stations can lead to a 20-40% overestimation of peak building loads during both summer and winter. Using weather stations close to population centers reduces both mean and peak load biases. This approach could be used by others designing aggregate building simulations to understand the sensitivity to their choice of weather stations used to drive the models.

Burleyson, Casey D.↗
DOE OSTI2019

An Online Plug-and-Play Algorithm for Regularized Image Reconstruction

Plug-and-play priors (PnP) is a powerful framework for regularizing imaging inverse problems by using advanced denoisers within an iterative algorithm. Recent experimental evidence suggests that PnP algorithms achieve state-of-the-art performance in a range of imaging applications. Here, we introduce a new online PnP algorithm based on the proximal gradient method (PGM). The proposed algorithm uses only a subset of measurements at every iteration, which makes it scalable to very large datasets. We present a new theoretical convergence analysis, for both batch and online variants of PnP-PGM, for denoisers that do not necessarily correspond to proximal operators. We also present simulations illustrating the applicability of the algorithm to image reconstruction in diffraction tomography. Finally, the results in this paper have the potential to expand the applicability of the PnP framework to very large datasets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Charged particle tracking with quantum annealing optimization

Abstract At the High Luminosity Large Hadron Collider (HL-LHC), traditional track reconstruction techniques that are critical for physics analysis will need to be upgraded to scale with track density. Quantum annealing has shown promise in its ability to solve combinatorial optimization problems amidst an ongoing effort to establish evidence of a quantum speedup. As a step towards exploiting such potential speedup, we investigate a track reconstruction approach by adapting the existing geometric Denby-Peterson (Hopfield) network method to the quantum annealing framework for HL-LHC conditions. We develop additional techniques to embed the problem onto existing and near-term quantum annealing hardware. Results using simulated annealing and quantum annealing with the D-Wave 2X system on the TrackML open dataset are presented, demonstrating the successful application of a quantum annealing algorithm to the track reconstruction challenge. We find that combinatorial optimization problems can effectively reconstruct tracks, suggesting possible applications for fast hardware-specific implementations at the HL-LHC while leaving open the possibility of a quantum speedup for tracking.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

What are the effects of Agro-Ecological Zones and land use region boundaries on land resource projection using the Global Change Assessment Model?

Understanding the potential impacts of climate change is complicated by mismatched spatial representations between gridded Earth System Models (ESMs) and Integrated Assessment Models (IAMs), whose regions are typically larger and defined by geopolitical and biophysical criteria. In this study we address uncertainty stemming from the construction of land use regions in an IAM, the Global Change Assessment Model (GCAM), whose regions are currently based on historical climatic conditions (1961-1990). We re-define GCAM’s regions according to projected climatic conditions (2070-2099), and investigate how this changes model outcomes for land use, agriculture, and forestry. By 2100, we find potentially large differences in projected global and regional area of biomass energy crops, fodder crops, harvested forest, and intensive pasture. These land area differences correspond with changes in agricultural commodity prices and production. These results have broader implications for understanding policy scenarios and potential impacts, and for evaluating and comparing IAM and ESM simulations.

54 ENVIRONMENTAL SCIENCES↗