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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 OSTI2022

Local Ferromagnetic Resonance Measurements of Mesoscopically Patterned Ferromagnets Using Deterministically Placed Nanodiamonds

Nitrogen-vacancy centers in diamond have recently been established as effective sensors of the magnetization dynamics in vicinal ferromagnetic materials. Here, we demonstrate sub-100-nm placement accuracy of nitrogen-vacancy-containing nanodiamonds and use these as local sensors that probe optically detected ferromagnetic resonance in mesoscopically patterned Permalloy islands. These measurements reveal variations in the ferromagnetic resonance signal at different sites on these structures with distinct behavior in the edge and the bulk of patterned features. These test measurements establish an easily implemented approach for spatially targeted measurements of spin dynamics in mesoscale ferromagnets. In principle, the methodology can also be extended to local studies of nanoscale ferromagnets, such as single magnetic nanowires and nanoparticles.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2011

Artificial Atoms Can Do More Than Atoms: Deterministic Single Photon Subtraction from Arbitrary Light Fields

We study the interplay of photons interacting with an artificial atom in the presence of a controlled dephasing. Such artificial atoms consisting of several independent scatterers can exhibit remarkable properties superior to single atoms with a prominent example being a superatom based on Rydberg blockade. We demonstrate that the induced dephasing allows for the controlled absorption of a single photon from an arbitrary incoming probe field. This unique tool in photon-matter interaction opens a way for building novel quantum devices, and several potential applications such as a single photon transistor, high fidelity n-photon counters, or the creation of nonclassical states of light by photon subtraction are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations

Here, we present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method is easy to implement without altering the GW code, converges rapidly with stochastic parameters, and treats systems of various dimensionality and screening response. Our calculations on a 5.75° twisted MoS 2 bilayer show how large-scale GW methods include geometry relaxations and electronic correlations on an equal basis in structurally nontrivial materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Stochastic and deterministic processes shape bioenergy crop microbiomes along a vertical soil niche

Abstract Sustainable biofuel cropping systems aim to address climate change while meeting energy needs. Understanding how soil and plant‐associated microbes respond to these different cropping systems is key to promoting agriculture sustainability and evaluating changes in ecosystem functions. Here, we leverage a long‐term biofuel cropping system field experiment to dissect soil and root microbiome changes across a soil‐depth gradient in poplar, restored prairie and switchgrass to understand their effects on the microbial communities. High throughput amplicon sequencing of the fungal internal transcribed spacer (ITS) and prokaryotic 16S DNA regions showed a common trend of root and soil microbial community richness decreasing and evenness increasing with depth. Ecological niche (root vs. soil) had the strongest effect on community structure, followed by depth, then crop. Stochastic processes dominated the structuring of fungal communities in deeper soil layers while operational taxonomic units (OTUs) in surface soil layers were more likely to co‐occur and to be enriched by plant hosts. Prokaryotic communities were dispersal limited at deeper depths. Microbial networks showed a higher density, connectedness, average degree and module size in deeper soils. We observed a decrease in fungal‐fungal links and an increase of bacteria–bacteria links with increasing depth in all crops, particularly in the root microbiome.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Response to ‘Stochastic and deterministic interpretation of pool models’

Here, we concur with Azizi-Rad et al. (2021) that it is vital to critically evaluate and compare different soil carbon models, and we welcome the opportunity to further describe the unique contribution of the PROMISE model (Waring et al., 2020) to this literature. The PROMISE framework does share many features with established biogeochemical models, as our original manuscript highlighted in Table 1, and our work builds upon model innovations developed by many different groups, including that of Azizi-Rad and colleagues. Yet, the PROMISE framework is distinctive due to where it places mechanistic emphasis, and how these mechanisms are formalized in the mathematical model structure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Validation Metrics for Deterministic and Probabilistic Data

Computational modeling and simulation are paramount to modern science. Computational models often replace physical experiments that are prohibitively expensive, dangerous, or occur at extreme scales. Thus, it is critical that these models accurately represent and can be used as replacements for reality. This paper provides an analysis of metrics that may be used to determine the validity of a computational model. While some metrics have a direct physical meaning and a long history of use, others, especially those that compare probabilistic data, are more difficult to interpret. Furthermore, the process of model validation is often application-specific, making the procedure itself challenging and the results difficult to defend. We therefore provide guidance and recommendations as to which validation metric to use, as well as how to use and decipher the results. Furthermore an example is included that compares interpretations of various metrics and demonstrates the impact of model and experimental uncertainty on validation processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Experimental validation of deterministic Acuros XB algorithm for IMRT and VMAT dose calculations with the Radiological Physics Center's head and neck phantom

Purpose: The purpose of this study was to verify the dosimetric performance of Acuros XB (AXB), a grid-based Boltzmann solver, in intensity-modulated radiation therapy (IMRT) and volumetric-modulated arc therapy (VMAT). Methods: The Radiological Physics Center (RPC) head and neck (H and N) phantom was used for all calculations and measurements in this study. Clinically equivalent IMRT and VMAT plans were created on the RPC H and N phantom in the Eclipse treatment planning system (version 10.0) by using RPC dose prescription specifications. The dose distributions were calculated with two different algorithms, AXB 11.0.03 and anisotropic analytical algorithm (AAA) 10.0.24. Two dose report modes of AXB were recorded: dose-to-medium in medium (D{sub m,m}) and dose-to-water in medium (D{sub w,m}). Each treatment plan was delivered to the RPC phantom three times for reproducibility by using a Varian Clinac iX linear accelerator. Absolute point dose and planar dose were measured with thermoluminescent dosimeters (TLDs) and GafChromic registered EBT2 film, respectively. Profile comparison and 2D gamma analysis were used to quantify the agreement between the film measurements and the calculated dose distributions from both AXB and AAA. The computation times for AAA and AXB were also evaluated. Results: Good agreement was observed between measured doses and those calculated with AAA or AXB. Both AAA and AXB calculated doses within 5% of TLD measurements in both the IMRT and VMAT plans. Results of AXB{sub Dm,m} (0.1% to 3.6%) were slightly better than AAA (0.2% to 4.6%) or AXB{sub Dw,m} (0.3% to 5.1%). The gamma analysis for both AAA and AXB met the RPC 7%/4 mm criteria (over 90% passed), whereas AXB{sub Dm,m} met 5%/3 mm criteria in most cases. AAA was 2 to 3 times faster than AXB for IMRT, whereas AXB was 4-6 times faster than AAA for VMAT. Conclusions: AXB was found to be satisfactorily accurate when compared to measurements in the RPC H and N phantom. Compared with AAA, AXB results were equal to or better than those obtained with film measurements for IMRT and VMAT plans. The AXB{sub Dm,m} reporting mode was found to be closer to TLD and film measurements than was the AXB{sub Dw,m} mode. AXB calculation time was found to be significantly shorter (x 4) than AAA for VMAT.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

The effect of head size/shape, miscentering, and bowtie filter on peak patient tissue doses from modern brain perfusion 256-slice CT: How can we minimize the risk for deterministic effects?

Purpose: To determine patient-specific absorbed peak doses to skin, eye lens, brain parenchyma, and cranial red bone marrow (RBM) of adult individuals subjected to low-dose brain perfusion CT studies on a 256-slice CT scanner, and investigate the effect of patient head size/shape, head position during the examination and bowtie filter used on peak tissue doses. Methods: The peak doses to eye lens, skin, brain, and RBM were measured in 106 individual-specific adult head phantoms subjected to the standard low-dose brain perfusion CT on a 256-slice CT scanner using a novel Monte Carlo simulation software dedicated for patient CT dosimetry. Peak tissue doses were compared to corresponding thresholds for induction of cataract, erythema, cerebrovascular disease, and depression of hematopoiesis, respectively. The effects of patient head size/shape, head position during acquisition and bowtie filter used on resulting peak patient tissue doses were investigated. The effect of eye-lens position in the scanned head region was also investigated. The effect of miscentering and use of narrow bowtie filter on image quality was assessed. Results: The mean peak doses to eye lens, skin, brain, and RBM were found to be 124, 120, 95, and 163 mGy, respectively. The effect of patient head size and shape on peak tissue doses was found to be minimal since maximum differences were less than 7%. Patient head miscentering and bowtie filter selection were found to have a considerable effect on peak tissue doses. The peak eye-lens dose saving achieved by elevating head by 4 cm with respect to isocenter and using a narrow wedge filter was found to approach 50%. When the eye lies outside of the primarily irradiated head region, the dose to eye lens was found to drop to less than 20% of the corresponding dose measured when the eye lens was located in the middle of the x-ray beam. Positioning head phantom off-isocenter by 4 cm and employing a narrow wedge filter results in a moderate reduction of signal-to-noise ratio mainly to the peripheral region of the phantom. Conclusions: Despite typical peak doses to skin, eye lens, brain, and RBM from the standard low-dose brain perfusion 256-slice CT protocol are well below the corresponding thresholds for the induction of erythema, cataract, cerebrovascular disease, and depression of hematopoiesis, respectively, every effort should be made toward optimization of the procedure and minimization of dose received by these tissues. The current study provides evidence that the use of the narrower bowtie filter available may considerably reduce peak absorbed dose to all above radiosensitive tissues with minimal deterioration in image quality. Considerable reduction in peak eye-lens dose may also be achieved by positioning patient head center a few centimeters above isocenter during the exposure.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Deterministic fabrication of 3D/2D perovskite bilayer stacks for durable and efficient solar cells

Realizing solution-processed heterostructures is a long-enduring challenge in halide perovskites because of solvent incompatibilities that disrupt the underlying layer. By leveraging the solvent dielectric constant and Gutmann donor number, we could grow phase-pure two-dimensional (2D) halide perovskite stacks of the desired composition, thickness, and bandgap onto 3D perovskites without dissolving the underlying substrate. Characterization reveals a 3D–2D transition region of 20 nanometers mainly determined by the roughness of the bottom 3D layer. Thickness dependence of the 2D perovskite layer reveals the anticipated trends for n-i-p and p-i-n architectures, which is consistent with band alignment and carrier transport limits for 2D perovskites. Here we measured a photovoltaic efficiency of 24.5%, with exceptional stability of T 99 (time required to preserve 99% of initial photovoltaic efficiency) of >2000 hours, implying that the 3D/2D bilayer inherits the intrinsic durability of 2D perovskite without compromising efficiency.

14 SOLAR ENERGY↗
DOE OSTI2019

Nonclassical Light Sources Based on Selectively Positioned Deterministic Microlens Structures and (111) In(Ga)As Quantum Dots

The results of investigations of the optical characteristics of nonclassical light sources based on selectively positioned microlens structures and single (111) In(Ga)As quantum dots grown on a (111) BGaAs substrate are presented. The single-photon nature of the radiation is confirmed by measuring and analyzing second-order correlation functions g{sup (2)}(τ); g{sup (2)}(0) = 0.07. The fine structure of the exciton states of (111) In(Ga)As quantum dots is investigated. It is shown that, in the energy range of 1.320–1.345 eV, the splitting of exciton states is comparable to the natural width of the exciton lines, which is of interest for developing photon-pair emitters based on them.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗