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

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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
NASA NTRS2024

Evaluating Differences Among Crop Models in Simulating Soybean in-Season Growth

Crop models are useful tools for simulating agricultural systems that require continued model development and testing to increase their robustness and improve how they describe our current understanding of processes. Coordinated and “blind” evaluation of multiple models using same protocols and experimental datasets provides unique opportunities to further improve models and enhance their reliability. For soybean [Glycine max (L.) Merr.], there has been limited coordinated multi-model evaluations for the simulation of in-season plant growth dynamics. We evaluated ten dynamic soybean crop models for their simulation of in-season plant growth using data from five experiments conducted in Argentina, Brazil, France, and USA. We evaluated models after a Blind (using only phenology data) and a Full calibration (with in-season and end-of-season variables). Calibration reduced model uncertainty by reducing standard bias for the simulation of in-season variables (biomass, leaf, pod, and stem weights, and leaf area index, LAI). However, we found that most models had difficulty in reproducing leaf growth dynamics, with normalized root mean squared error (nRMSE) of 56% for leaf weight and 43% for LAI (across locations and models after Full calibration). Models with different levels of complexity and experience were capable of simulating final seed yield at maturity with reasonable accuracy (nRMSE of 8–31% after Full calibration). However, the nRMSE for pod weight (of 17–64% after Full calibration) was two-fold larger than that of seed yield. Moreover, the models differed in how they simulated timing from sowing to beginning seed growth (47–93 days) and effective seed filling period (18–54 days), owing to model structural differences in defining the reproductive developmental stages. Overall, we identified the following processes that can benefit from further model improvement: leaf expansion and senescence, reproductive phenology, and partitioning to reproductive growth. Simulation of pod wall tissue and individual seed cohorts is another aspect that many models currently lack. Model improvement can benefit from high-temporal resolution experimental datasets that concurrently account for phenology, plant growth, and partitioning. Further, we recommend collecting reproductive phenology in the field consistent with actual dry matter allocation to organs in the models and collecting multiple observations of seed and pod weight to aid model improvement for simulation of seed growth and yield formation.

Agricultural Model Intercomparison and Improvement↗
DOE OSTI2020

OpenABLext: An automatic code generation framework for agent-based simulations on CPU-GPU-FPGA heterogeneous platforms

The execution of agent-based simulations (ABSs) on hardware accelerator devices such as graphics processing units (GPUs) has been shown to offer great performance potentials. However, in heterogeneous hardware environments, it can become increasingly difficult to find viable partitions of the simulation and provide implementations for different hardware devices. To automate this process, we present OpenABLext, an extension to OpenABL, a model specification language for ABSs. By providing a device-aware OpenCL backend, OpenABLext enables the co-execution of ABS on heterogeneous hardware platforms consisting of central processing units, GPUs, and field programmable gate arrays (FPGAs).We present a novel online dispatching method that efficiently profiles partitions of the simulation during run-time to optimize the hardware assignment while using the profiling results to advance the simulation itself. In addition, OpenABLext features automated conflict resolution based on user-specified rules, supports graph-based simulation spaces, and utilizes an efficient neighbor search algorithm. We show the improved performance of OpenABLext and demonstrate the potential of FPGAs in the context of ABS. We illustrate how co-execution can be used to further lower execution times. OpenABLext can be seen as an enabler to tap the computing power of heterogeneous hardware platforms for ABS.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Examining the peatland shrubification-evapotranspiration feedback following multi-decadal water table manipulation

Northern peatlands are globally important long-term sinks of carbon due to their predominantly saturated conditions. However, these ecosystems are expected to become drier with climate change, potentially leading to shrubification. As such, the response of the shrubification–evapotranspiration (ET) feedback may be of critical importance to future peatland energy, water and carbon dynamics. Here we examined the effect of multi-decadal peatland water table (WT) alteration at three adjacent sites with increasing depth to WT (WET, INTermediate, and DRY). In order to better understand the WT–shrubification–ET feedback, we measured peatland vegetation composition, microtopography and ET partitioning, where ET was measured at the ecosystem, microform, and leaf level using eddy covariance (EC), chambers and porometry, respectively. Averaged across microforms and WT treatments, there was a difference in the median measured leaf resistance (r leaf ) between plant functional types ranging from 213 s m -1 for erect dwarf shrubs, 325 s m -1 for graminoids/sedges, and 520 s m -1 for prostrate dwarf shrubs. Scaled based on LAI, the low r leaf of erect dwarf shrubs dominated hummocks, where sites with a higher proportion of hummocks had lower median canopy resistance (r v ) of 141, 133 and 130 s m -1 at the WET, INT and DRY sites respectively. Nevertheless, ET was highest at the WET site and similar between the INT and DRY sites, with greater evaporation from the moss surface at the WET site. Porometry and EC data along with a three-source model were used to independently assess the evaporative contribution from the moss surface, which ranged from 17% to 40%. For moderate and persistent changes in WT from land-use or climate change, our results suggest vegetation succession is minimal, but the microtopographic development and the concomitant differences in LAI for the various plant functional types is key to understanding changes in total ET and partitioning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Range‐separated density functional theory using multiresolution analysis and quantum computing

Quantum computers are expected to outperform classical computers for specific problems in quantum chemistry. Such calculations remain expensive, but costs can be lowered through the partition of the molecular system. In the present study, partition was achieved with range-separated density functional theory (RS-DFT). The use of RS-DFT reduces both the basis set size and the active space size dependence of the ground state energy in comparison with the use of wave function theory (WFT) alone. The utilization of pair natural orbitals (PNOs) in place of canonical molecular orbitals (MOs) results in more compact qubit Hamiltonians. To test this strategy, a basis-set independent framework, known as multiresolution analysis (MRA), was employed to generate PNOs. Tests were conducted with the variational quantum eigensolver for a number of molecules. The results show that the proposed approach reduces the number of qubits needed to reach a target energy accuracy.

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

Automatic detection of small bowel tumors in wireless capsule endoscopy images using ensemble learning

Purpose Wireless Capsule Endoscopy (WCE) is a minimally invasive diagnosis tool for lesion detection in the gastrointestinal tract, reaching places where conventional endoscopy is unable to. However, the significant amount of acquired data leads to difficulties in the diagnosis by the physicians; which can be eased with computer assistance. This paper addresses a method for the automatic detection of tumors in WCE by using a two‐step based procedure: region of interest selection and classification. Methods The first step aims to separate abnormal from normal tissue by using automatic segmentation based on a Gaussian Mixture Model (GMM). A modified version of the Anderson method for convergence acceleration of the expectation–maximization (EM) algorithm is proposed. The proposed features for both segmentation and classification are based on the CIELab color space, as a way of bypassing lightness variations, where the L component is discarded. Tissue variability among subjects, light inhomogeneities and even intensity differences among different devices can be overcome by using simultaneously features from both regions. In the second step, an ensemble system with partition of the training data with a new training scheme is proposed. At this stage, the gating network is trained after the experts have been trained decoupling the joint maximization of both modules. The partition module is also used at the test step, leading the incoming data to the most likely expert allowing incremental adaptation by preserving data diversity. Results This algorithm outperforms others based on texture features selected from Wavelets and Curvelets transforms, classified by a regular support vector machine (SVM) in more than 5%. Conclusions This work shows that simpler features can outperform more elaborate ones if appropriately designed. In the current case, luminance was discarded to cope with saturated tissue, facilitating the color perception. Ensemble systems remain an open research field. In the current case, changes in both topology and training strategy have led to significant performance improvements. A system with this level of performance can be used in current clinical practice.

Vieira, Pedro M.↗
DOE OSTI2020

Measuring the dynamic response of the thylakoid architecture in plant leaves by electron microscopy

The performance of the photosynthesis machinery in plants, including light harvesting, electron transport, and protein repair is controlled by structural changes of the thylakoid membrane system inside the chloroplasts. In particular, the structure of the stacked grana area of thylakoid membranes is highly dynamic, changing in response to different environmental cues such as light intensity. For example, the aqueous thylakoid lumen enclosed by thylakoid membranes in grana has been documented to swell in the presence of light. However, light-induced alteration of the stromal gap in the stacked grana (partition gap) and of the unstacked stroma lamellae have not been well characterized. Light-induced changes of the entire thylakoid membrane system including the lumen in both stacked and unstacked domains as well as the partition gap are presented here, and the functional implications are discussed. This structural analysis was made possible by development of a robust semi-automated image analysis method combined with optimized plant tissue fixation techniques for transmission electron microscopy generating quantitative structural results for the analysis of thylakoid ultrastructure.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Modern chemical graph theory

Abstract Graph theory has a long history in chemistry. Yet as the breadth and variety of chemical data is rapidly changing, so too do graph encoding methods and analyses that yield qualitative and quantitative insights. Using illustrative cases within a basic mathematical framework, we showcase modern chemical graph theory's utility in Chemists' analysis and model development toolkit. The encoding of both experimental and simulation data is discussed at various levels of granularity of information. This is followed by a discussion of the two major classes of graph theoretical analyses: identifying connectivity patterns and partitioning methods. Measures, metrics, descriptors, and topological indices are then introduced with an emphasis upon enhancing interpretability and incorporation into physical models. Challenging data cases are described that include strategies for studying time dependence. Throughout, we incorporate recent advancements in computer science and applied mathematics that are propelling chemical graph theory into new domains of chemical study. This article is categorized under: Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods Structure and Mechanism > Computational Materials Science Structure and Mechanism > Molecular Structures

Leite, Leonardo S. G.↗
DOE OSTI2021

Scalable statistical inference of photometric redshift via data subsampling

Handling big data has largely been a major bottleneck in traditional statistical models. Consequently, when accurate point prediction is the primary target, machine learning models are often preferred over their statistical counterparts for bigger problems. But full probabilistic statistical models often outperform other models in quantifying uncertainties associated with model predictions. We develop a data-driven statistical modeling framework that combines the uncertainties from an ensemble of statistical models learned on smaller subsets of data carefully chosen to account for imbalances in the input space. We demonstrate this method on a photometric redshift estimation problem in cosmology, which seeks to infer a distribution of the redshift—the stretching effect in observing the light of far-away galaxies—given multivariate color information observed for an object in the sky. Our proposed method performs balanced partitioning, graph-based data subsampling across the partitions, and training of an ensemble of Gaussian process models.

data subsampling↗
DOE OSTI2024

Universal asymptotics for high energy CFT data

Equilibrium finite temperature observables of a CFT can be described by a local effective action for background fields — a “thermal effective action”. This effective action determines the asymptotic density of states of a CFT as a detailed function of dimension and spin. We discuss subleading perturbative and nonperturbative corrections to the density, comparing with free and holographic examples. We furthermore show how to use the thermal effective action on more complicated geometries at special locations called “hot spots”. The hot spot idea makes a prediction for a CFT partition function on a higher-dimensional version of a genus-2 Riemann surface, in a particular high temperature limit. By decomposing the partition function into a novel higher-dimensional version of genus-2 conformal blocks (which we compute at large scaling dimension), we extract the asymptotic density of heavy-heavy-heavy OPE coefficients in a higher-dimensional CFT. We also compute asymptotics of thermal 1-point functions using the same techniques.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Spin-statistics for black hole microstates

The gravitational path integral can be used to compute the number of black hole states for a given energy window, or the free energy in a thermal ensemble. In this article we explain how to use the gravitational path integral to compute the separate number of bosonic and fermionic black hole microstates. We do this by comparing the partition function with and without the insertion of (–1) F . In particular we introduce a universal rotating black hole that contributes to the partition function in the presence of (–1) F. We study this problem for black holes in asymptotically flat space and in AdS, putting constraints on the high energy spectrum of holographic CFTs (not necessarily supersymmetric). Finally, we analyze wormhole contributions to related quantities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

S-duality in $ T\overline{T} $-deformed CFT

$ T\overline{T} $ deformed conformal field theories can be reformulated as worldsheet theories of non-critical strings. We use this correspondence to compute and study the $ T\overline{T} $ deformed partition sum of a symmetric product CFT. We find that it takes the form of a partition sum of a second quantized string theory with a worldsheet given by the product of the seed CFT and a gaussian sigma model with the two-torus as target space. We show that deformed symmetric product theory admits a natural UV completion that exhibits a strong weak coupling Z 2 duality that interchanges the momentum and winding numbers and maps the $ T\overline{T} $-coupling λ to its inverse 1/λ. The Z 2 duality is part of a full O(2, 2, Z)-duality group that includes a PSL(2, Z) acting on the complexified $ T\overline{T} $ coupling. The duality symmetry eliminates the appearance of complex energies at strong coupling for all seed CFTs with central charge c ≤ 6.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Multi-invariants and bulk replica symmetry

In this paper, we analyze the question of replica symmetry in the bulk for multi-partite entanglement measures in the vacuum state of two dimensional holographic CFTs. We first define a class of multi-partite local unitary invariants, multi-invariants , with a given replica symmetry that acts freely and transitively on the replicas. We look for a subclass of measures such that the dual bulk geometry also preserves replica symmetry. We obtain the most general solution to this problem if we require the bulk to preserve replica symmetry for general configurations of the regions. Orbifolding the bulk solution with the replica symmetry gives us a bulk geometry with a network of conical singularities. Our approach makes it clear that there are infinitely many infinitely large families of multi-invariants such that each family evaluates identically on the holographic state. Geometrically, these are equalities involving volumes of handlebodies, possibly of different genus, at particular points in the moduli space. In certain cases, we check our bulk computation with an explicit calculation in CFT. Finally we comment on the generalization to higher dimension.

AdS-CFT Correspondence↗
DOE OSTI2020

A one-loop test of the near-AdS 2 /near-CFT 1 correspondence

We analyze quantum fluctuations around black hole solutions to the Jackiw-Teitelboim model. We use harmonic analysis on Euclidean AdS 2 to show that the logarithmic corrections to the partition function are determined entirely by quadratic holomorphic differentials, even when conformal symmetry is broken and harmonic modes are no longer true zero modes. Our quantum-corrected partition function agrees precisely with the SYK result. We argue that our effective quantum field theory methods and results generalize to other theories of two-dimensional dilaton gravity.

2D Gravity↗
DOE OSTI2024

The lion, the witch, and the wormhole: ensemble averaging the symmetric product orbifold

Abstract We consider the ensemble average of two dimensional symmetric product orbifold CFTs Sym N (𝕋 D ) over the Narain moduli space. We argue for a bulk dual given byNcopies of an abelian Chern-Simons theory coupled to topological gravity, endowed with a discrete gauge symmetry exchanging theNcopies. As a check of this proposal, we calculate the ensemble average of various partition and correlation functions of the symmetric product orbifold theory and compare the resulting expressions to gauge theory quantities in the bulk. We comment on the ensemble average of the tensionless string partition function on AdS 3 × S 3 × 𝕋 4 by considering the specific case ofD= 4 with the addition of supersymmetry.

Physics↗
DOE OSTI2020

Tests of Seiberg-like dualities in three dimensions

We use localization techniques to study several duality proposals for supersymmetric gauge theories in three dimensions reminiscent of Seiberg duality. We compare the partition functions of dual theories deformed by real mass terms and FI parameters. We find that Seiberg-like duality for N = 3 Chern-Simons gauge theories proposed by Giveon and Kutasov holds on the level of partition functions and is closely related to level-rank duality in pure Chern-Simons theory. We also clarify the relationship between the Giveon-Kutasov duality and a duality in theories of fractional M2 branes and propose a generalization of the latter. Our analysis also confirms previously known results concerning decoupled free sectors in N = 4 gauge theories realized by monopole operators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Chern-Simons invariants from ensemble averages

We discuss ensemble averages of two-dimensional conformal field theories associated with an arbitrary indefinite lattice with integral quadratic form Q. We provide evidence that the holographic dual after the ensemble average is the three-dimensional Abelian Chern-Simons theory with kinetic term determined by Q. The resulting partition function can be written as a modular form, expressed as a sum over the partition functions of Chern-Simons theories on lens spaces. For odd lattices, the dual bulk theory is a spin Chern-Simons theory, and we identify several novel phenomena in this case. We also discuss the holographic duality prior to averaging in terms of Maxwell-Chern-Simons theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Subleading corrections to the S 3 free energy of necklace quiver theories dual to massive IIA

We investigate the S 3 free energy of N = 3 Chern-Simons-matter quiver gauge theories with gauge group U(N) r (r ≥ 2) where the sum of Chern-Simons levels does not vanish, beyond the leading order in the large-N limit. We take two different approaches to explore the sub-leading structures of the free energy. First we evaluate the matrix integral for the partition function in the ’t Hooft limit using a saddle point approximation. Second we use an ideal Fermi-gas model to compute the same partition function, but in the limit of fixed Chern-Simons levels. The resulting expressions for the free energy F = – log Z are then compared in the overlapping parameter regime. The Fermi-gas approach also hints at a universal 1/6 log N correction to the free energy. Since the quiver gauge theories we consider are dual to massive Type IIA theory, we expect the sub-leading correction of the planar free energy in the large ’t Hooft parameter limit to match higher-derivative corrections to the tree-level holographic dual free energy, which have not yet been fully investigated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗