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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

SU-E-CAMPUS-J-06: The Impact of CT-Scan Energy On Range Uncertainty in Proton Therapy Planning

Purpose: To investigate the impact of tube potential (kVp) on the CTnumber (HU) to proton stopping power ratio (PSPR) conversion table; the range uncertainty and the dosimetric change introduced by a mismatch in kVp between the CT and the HU to PSPR table used to calculate dose are analyzed. Methods: A CIRS CT-ED phantom was scanned with a Philips Brilliance 64-slice scanner under 90kVp and 120kVp tube potentials. Two HU to PSPR curves were then created. Using Eclipse (Varian) a treatment plan was created for a single beam in a water phantom (HU=0) passing through a wedge-shaped heterogeneity (HU=1488). The dose was recalculated by changing only the HU to PSPR table used in the dose calculation. The change in range (the distal 90% isodose line) relative to a distal structure was recorded as a function of heterogeneity thickness in the beam. To show the dosimetric impact of a mismatch in kVp between the CT and the HU to PSPR table, we repeated this procedure using a clinical plan comparing DVH data. Results: The HU to PSPR tables diverge for low-density bone and higher density structures. In the phantom plan, the divergence of the tables results in a change in range of ~1mm per cm of bone in the beam path for the HU used. For the clinical plan, a mismatch in kVp showed a 28% increase in mean dose to the brainstem along with a 10% increase in maximum dose to the brainstem center. Conclusion: A mismatch in kVp between the CT and the HU to PSPR table can introduce significant uncertainty in the proton beam range. For dense bone, the measured range uncertainty is about 1mm per cm of bone in the beam. CT-scan energy verification should be employed, particularly when high-density media is in the proton beam path.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TH-CD-207B-06: Swank Factor of Segmented Scintillators in Multi-Slice CT Detectors: Pulse Height Spectra and Light Escape

Purpose: Pulse height spectra (PHS) have been used to determine the Swank factor of a scintillator by measuring fluctuations in its light output per x-ray interaction. The Swank factor and x-ray quantum efficiency of a scintillator define the upper limit to its imaging performance, i.e. DQE(0). The Swank factor below the K-edge is dominated by optical properties, i.e. variations in light escape efficiency from different depths of interaction, denoted e(z). These variations can be optimized to improve tradeoffs in x-ray absorption, light yield, and spatial resolution. This work develops a quantitative model for interpreting measured PHS, and estimating e(z) on an absolute scale. The method is used to investigate segmented ceramic GOS scintillators used in multi-slice CT detectors. Methods: PHS of a ceramic GOS plate (1 mm thickness) and segmented GOS array (1.4 mm thick) were measured at 46 keV. Signal and noise propagation through x-ray conversion gain, light escape, detection by a photomultiplier tube and dynode amplification were modeled using a cascade of stochastic gain stages. PHS were calculated with these expressions and compared to measurements. Light escape parameters were varied until modeled PHS agreed with measurements. The resulting estimates of e(z) were used to calculate PHS without measurement noise to determine the inherent Swank factor. Results: The variation in e(z) was 67.2–89.7% in the plate and 40.2–70.8% in the segmented sample, corresponding to conversion gains of 28.6–38.1 keV{sup −1} and 17.1–30.1 keV{sup −1}, respectively. The inherent Swank factors of the plate and segmented sample were 0.99 and 0.95, respectively. Conclusion: The high light escape efficiency in the ceramic GOS samples yields high Swank factors and DQE(0) in CT applications. The PHS model allows the intrinsic optical properties of scintillators to be deduced from PHS measurements, thus it provides new insights for evaluating the imaging performance of segmented ceramic GOS scintillators.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

The Mu2e crystal calorimeter and improvements in the $\mu^-\mbox{N} \to e^-\mbox{N}$ search sensitivity

The Mu2e experiment will search for Charged Lepton Flavor Violation (CLFV) looking at the conversion of a muon into an electron in the field of an aluminum nucleus. About $7\cdot 10^{17}$ muons, provided by a dedicated muon beam line in construction at the Fermi National Accelarator Laboratory (Fermilab), will be stopped in 3 years in the Aluminum target. The corresponding single event sensitivity will be $2.5\cdot 10^{-17}$. The Standard Model of particle physics, even extendend to include the finite neutrino masses, predicts the ratio R μe between muon conversions and muon nuclear captures to be $\sim 10^{- 52}$. Several extensions of the Standard Model predict R μe to be in the range of $10^{-14} - 10^{-18}$. % The current best experimental limit, set by the SINDRUM II experiment is $7 \cdot 10^{-13}$ @ $90\%$ CL. The Mu2e experiment plans to improve this experimental limit by four order of magnitude to test many of the possible extensions of the Standard Model. To reach this ambitious goal, the Mu2e experiment is expected to use an intense pulsed muon beam, and rely on a detector system composed of a straw tube tracker and a calorimeter made of pure CsI crystals. The calorimeter plays a central role in the Mu2e measurement, providing particle identification capabilities that are necessary for rejecting two of the most dangerous background sources that can mimic the μ⁻N → e⁻N conversion electron: cosmic muons and $\bar{p}$ induced background. The calorimeter information allows also to improve the tracking performance. Thanks to a calorimeter-seeded track finder algorithm, it is possible to increase the track reconstruction efficiency, and make it more robust with respect to the occupancy level. Expected performances of the calorimeter have been studied in a beam test at the Beam Test Facility in Frascati (Rome, Italy). A reduced scale calorimeter prototype has been exposed to an electron beam, with energy varying from 80 to 140 MeV, for measuring the timing resolution and validate the Monte Carlo prediction. A timing resolution $\sigma_{\rm t}<200$ ps @ 100 MeV has been obtained. Combination of the background rejection performance, and the improvements in the track reconstruction, have then been used in the calculation of the expected Mu2e sensitivity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Monte Carlo Modeling and Design of Photon Energy Attenuation Layers for >10× Quantum Yield Enhancement in Si-Based Hard X-ray Detectors

High-energy (>20 keV) X-ray photon detection at high quantum yield, high spatial resolution, and short response time has long been an important area of study in physics. Scintillation is a prevalent method but limited in various ways. Directly detecting high-energy X-ray photons has been a challenge to this day, mainly due to low photon-to-photoelectron conversion efficiencies. Commercially available state-of-the-art Si direct detection products such as the Si charge-coupled device (CCD) are inefficient for >10 keV photons. Here, we present Monte Carlo simulation results and analyses to introduce a highly effective yet simple high-energy X-ray detection concept with significantly enhanced photon-to-electron conversion efficiencies composed of two layers: a top high-Z photon energy attenuation layer (PAL) and a bottom Si detector. We use the principle of photon energy down conversion, where high-energy X-ray photon energies are attenuated down to ≤10 keV via inelastic scattering suitable for efficient photoelectric absorption by Si. Our Monte Carlo simulation results demonstrate that a 10–30× increase in quantum yield can be achieved using PbTe PAL on Si, potentially advancing high-resolution, high-efficiency X-ray detection using PAL-enhanced Si CMOS image sensors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

2.3.4.100 - Lignin Utilization

Lignin depolymerization to aromatic monomers is a primary route for myriad lignin valorization strategies. To date, there are many strategies able to cleave aryl-ether linkages in lignin, but the lignin polymer, in both its native and processed forms, contains a substantial fraction of refractory carbon-carbon linkages between aromatic units, which typically limits aromatic monomer yields to -30-40 wt% or lower, depending on the feedstock. To that end, the Lignin Utilization (LigU) project addresses the critical challenge of lignin depolymerization catalysis with emphasis on C-C bond cleavage. Being able to achieve cost-effective C-C bond catalysis in lignin depolymerization would enable a substantial increase in accessible aromatic monomer yields from lignin. Among the catalysis strategies that have been investigated in the LigU project, we have made substantial progress in the use of autoxidation catalysis, inspired by the industrial conversion of p-xylene to terephthalic acid, for C-C bond cleavage in lignin. Using multiple substrates, we have demonstrated that autoxidation catalysis can produce mixtures of bio-available aromatic monomers for conversion to exemplary bioproducts, such as cis,cis-muconic acid, in collaboration with the Biological Lignin Valorization project. Prior to FY23, the LigU project also included lignin analytical chemistry method development, lignin analytics for BETO-funded projects, and model compound syntheses, which will also be presented.

BIOMASS FUELS↗
DOE OSTI2023

Biomass Feedstock Flow Modeling at Exascale

Variable biomass feedstock handling in hoppers and screw conveyors can cause upstream failures and disrupt downstream conversion operations. Understanding how particle size, shape, and moisture content affect feedstock flowability is important for efficient biorefinery operation. We present the use of our open-source discrete element method (DEM) solver for predicting flows in large scale hoppers and assess its performance on state-of-the-art high performance computing platforms that use heterogenous computing architectures.

bioenergy↗
DOE OSTI2026

Adaptive spectra-to-exposure conversion using ridge regularized polynomial response models

Real-time gamma spectra-to-exposure conversion in aerial and ground monitoring commonly relies on calibration-derived, detector- or system-specific conversion coefficients that are assumed to generalize across operational environments. In practice, deployment specific differences in spectral composition and transport conditions can introduce systematic bias relative to reference instruments, motivating methods that adapt coefficients using minimal field supervision while explicitly limiting overfitting. In this work, we present a conservative coefficient adaptation framework that updates a baseline polynomial energy-weighting function using ridge-regularized regression, with leave-one-out cross-validation (LOOCV) used to select the regularization strength. The findings support ridge-constrained minimal-supervision adaptation as a practical mechanism to suppress site-specific bias without destabilizing a calibration-derived baseline.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2019

Electrochemical Conversion of CO 2 to Syngas with Controllable CO/H 2 Ratios over Co and Ni Single-Atom Catalysts

The electrochemical CO 2 reduction reaction (CO 2 RR) to yield synthesis gas (syngas, CO and H 2 ) has been considered as a promising method to realize the net reduction in CO 2 emission. However, it is challenging to balance the CO 2 RR activity and the CO/H 2 ratio. To address this issue, nitrogen-doped carbon supported single-atom catalysts are designed as electrocatalysts to produce syngas from CO 2 RR. While Co and Ni single-atom catalysts are selective in producing H2 and CO, respectively, electrocatalysts containing both Co and Ni show a high syngas evolution (total current 74 mA cm -2 ) with CO/H 2 ratios (0.23-2.26) that are suitable for typical downstream thermochemical reactions. Density functional theory calculations provide insights into the key intermediates on Co and Ni single-atom configurations for the H 2 and CO evolution. The results present a useful case on how non-precious transition metal species can maintain high CO 2 RR activity with tunable CO/H 2 ratios.

25 ENERGY STORAGE↗
DOE OSTI2015

Enhancement of the photo conversion efficiencies in Cu(In,Ga)(Se,S){sub 2} solar cells fabricated by two-step sulfurization process

Cu(In,Ga)(Se,S){sub 2} (CIGSS) absorber layers were fabricated by using a modified two-stage sputter and a sequential selenization/sulfurization method, and the sulfurization process is changed from one-step to two-step. The two-step sulfurization was controlled with two different H{sub 2}S gas concentrations during the sulfurization treatment. This two-step process yielded remarkable improvements in the efficiency (+0.7%), open circuit voltage (+14 mV), short circuit current (+0.23 mA/cm{sup 2}), and fill factor (+0.21%) of a CIGSS device with 30 × 30 cm{sup 2} in size, owing to the good passivation at the grain boundary surface, uniform material composition among the grain boundaries, and modified depth profile of Ga and S. The deterioration of the P/N junction quality was prevented by the optimized S content in the CIGSS absorber layer. The effects of the passivation quality at the grain boundary surface, the material uniformity, the compositional depth profiles, the microstructure, and the electrical characteristics were examined by Kelvin probe force microscopy, X-ray diffraction, secondary ion mass spectrometry, scanning electron microscopy, and current-voltage curves, respectively. The two-step sulfurization process is experimentally found to be useful for obtaining good surface conditions and, enhancing the efficiency, for the mass production of large CIGSS modules.

36 MATERIALS SCIENCE↗
DOE OSTI2015

SU-E-T-265: Development of Dose-To-Water Conversion Models for Pre-Treatment Verification with the New AS1200 Imager

Purpose: To develop and evaluate models for dose verification of flattened (FF) and flattening filter free (FFF) beams for the new Varian aS1200 backscatter-shielded electronic portal imaging device (EPID). Methods: The model converts EPID images to incident energy fluence using deconvolution of EPID scatter kernels and fluence to dose in water using convolution with dose-to-water kernels. Model parameters were optimized using non-transmission EPID images of varying jaw defined field sizes for energies of 6 and 10 MV FF and FFF beams. Energy fluence was obtained from the Acuros planning system and reference dose profiles and output factors were measured at depths of 5, 10, 15 and 20 cm in a water phantom. Images for 34 IMRT fields acquired at 6 and 10 MV FF energy were converted to dose at 10 cm depth in water and compared to treatment planning system dose plane calculations using gamma criteria. Results: Gamma evaluations for the IMRT fields had mean (1 standard deviation) pass rates of 99.4% (0.8%) and mean gamma scores of 0.32 (0.06) with 2%, 2 mm criteria and 10% of maximum dose threshold. Conclusion: The developed model has been shown to be highly accurate for pre-treatment verification with the new aS1200 imager which does not display support-arm backscatter artefact and has improved dosimetric properties. Further investigation of FFF modes is in progress. The model is currently being evaluated at sites for potential clinical release.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Improved Microalgal Carbon Utilization Efficiency via Integrated CO 2 Electro-Conversion to Formate and Microalgal Sequestration

This project developed a process to convert industrial carbon dioxide (CO 2 ) emissions into high-value, sustainable products through genetically engineered algae cultivation. While traditional microalgae cultivation depends on sparging CO 2 gas through water, this method is often inefficient because much of the gas escapes into the atmosphere before the algae can consume it. To overcome this challenge, the project designed an integrated system that first uses a CO 2 to formic acid electrolyzer to convert CO 2 into water-soluble formic acid/formate, then introduces formic acid/formate into the algae pond for cultivation, which allows the algae to access and utilize nearly all of the provided carbon, greatly increasing the efficiency of carbon utilization. The project team has successfully scaled up the CO 2 to formic acid electrolyzer from lab-scale to 1000 cm² and demonstrated industrially relevant current densities with the scaled-up electrolyzers using a CO 2 source that simulates industrial CO 2 waste.

42 ENGINEERING↗
DOE OSTI2018

Influences of Quench Cooling Rate on Microstructure and Corrosion Resistance of Al-Cu-Mg Alloy Based on the End-Quenching Test

To investigate the effects of the quench cooling rate on corrosion resistance of Al-Cu-Mg alloy, an end-quenching test was conducted and the microstructures at different cooling rates were observed by SEM and TEM. Additionally, the corrosion resistance was characterized by an intergranular corrosion test and electrochemical test. Moreover, the finite element method was applied to simulate the end quenching process. The results indicate that the actual end quenching process can be approximated as one-dimensional heat transfer, and the cooling rate varies at different cooling distances. By affecting the microstructures, decreasing the cooling rate leads to a decline in the corrosion properties. Low cooling rates coarsen the constituent particles and grain boundary particles, resulting in a wide precipitation-free zone and an increase in the intensity of corrosion reactions. A high cooling rate concentrates on the intragranular precipitant, which can reduce the pitting depth and represents a conversion from localized corrosion to general corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nanocluster and single-atom catalysts for thermocatalytic conversion of CO and CO 2

In this Minireview, we discuss recent advances in understanding nanocluster and single-atom catalysts for CO and CO 2 emissions control applications. Through analyzing thermocatalytic CO oxidation and CO 2 reduction, two fundamentally and industrially important reactions, we compare representative nanocluster and single-atom catalytic systems from perspectives of intrinsic chemistry and reaction engineering. Generally, nanoclusters and single atoms display different catalytic performances (i.e., activity, selectivity, and stability) for these reactions depending on the synthesis methods, support materials, and reaction conditions. Key observations of activity and selectivity tradeoffs between nanoclusters and single-atom catalysts are highlighted. Here, the dynamic structural responses of these catalytic species under CO oxidation or CO 2 reduction reaction conditions are also discussed. Synthetic control and detailed experimental and computational characterization of single-atom and nanocluster catalysts for CO and CO 2 conversion have led to exciting progress over the past decade. Still, more efforts are needed to understand and develop catalysts that meet the environmental, energy, and technical requirements to power a sustainable global economy.

03 NATURAL GAS↗
DOE OSTI2016

Saccharification of newspaper waste after ammonia fiber expansion or extractive ammonia

Here, the lignocellulosic fractions of municipal solid waste (MSW) can be used as renewable resources due to the widespread availability, predictable and low pricing and suitability for most conversion technologies. In particular, after the typical paper recycling loop, the newspaper waste (NW) could be further valorized as feedstock in biorefinering industry since it still contains up to 70 % polysaccharides. In this study, two different physicochemical methods— ammonia fiber expansion (AFEX) and extractive ammonia (EA) were tested for the pretraetment of NW. Furthermore, based on the previously demonstrated ability of the recombinant enzymes endocellulase rCelStrep, α-larabinofuranosidase rPoAbf and its evolved variant rPoAbf F435Y/Y446F to improve the saccharification of different lignocellulosic pretreated biomasses (such as corn stover and Arundo donax ), in this study these enzymes were tested for the hydrolysis of pretreated NW, with the aim of valorizing the lignocellulosic fractions of the MSW. In particular, a mixture of purified enzymes containing cellulases, xylanases and accessory hemicellulases, was chosen as reference mix and rCelStrep and rPoAbf or its variant were replaced to EGI and Larb. The results showed that these enzymatic mixes are not suitable for the hydrolysis of NW after AFEX or EA pretreatment. On the other hand, when the enzymes rCelStrep, rPoAbf and rPoAbf F435Y/Y446F were tested for their effect in hydrolysis of pretreated NW by addition to a commercial enzyme mixture, it was shown that the total polysaccharides conversion yield reached 37.32 % for AFEX pretreated NW by adding rPoAbf to the mix whilst the maximum sugars conversion yield for EA pretreated NW was achieved 40.80 % by adding rCelStrep. The maximum glucan conversion yield obtained (45.61 % for EA pretreated NW by adding rCelStrep to the commercial mix) is higher than or comparable to those reported in recent manuscripts adopting hydrolysis conditions similar to those used in this study.

municipal solid waste↗
DOE OSTI2014

Determination of prescription dose for Cs-131 permanent implants using the BED formalism including resensitization correction

Purpose: The current widely used biological equivalent dose (BED) formalism for permanent implants is based on the linear-quadratic model that includes cell repair and repopulation but not resensitization (redistribution and reoxygenation). The authors propose a BED formalism that includes all the four biological effects (4Rs), and the authors propose how it can be used to calculate appropriate prescription doses for permanent implants with Cs-131. Methods: A resensitization correction was added to the BED calculation for permanent implants to account for 4Rs. Using the same BED, the prescription doses with Au-198, I-125, and Pd-103 were converted to the isoeffective Cs-131 prescription doses. The conversion factor F, ratio of the Cs-131 dose to the equivalent dose with the other reference isotope (F{sub r}: with resensitization, F{sub n}: without resensitization), was thus derived and used for actual prescription. Different values of biological parameters such as α, β, and relative biological effectiveness for different types of tumors were used for the calculation. Results: Prescription doses with I-125, Pd-103, and Au-198 ranging from 10 to 160 Gy were converted into prescription doses with Cs-131. The difference in dose conversion factors with (F{sub r}) and without (F{sub n}) resensitization was significant but varied with different isotopes and different types of tumors. The conversion factors also varied with different doses. For I-125, the average values of F{sub r}/F{sub n} were 0.51/0.46, for fast growing tumors, and 0.88/0.77 for slow growing tumors. For Pd-103, the average values of F{sub r}/F{sub n} were 1.25/1.15 for fast growing tumors, and 1.28/1.22 for slow growing tumors. For Au-198, the average values of F{sub r}/F{sub n} were 1.08/1.25 for fast growing tumors, and 1.00/1.06 for slow growing tumors. Using the biological parameters for the HeLa/C4-I cells, the averaged value of F{sub r} was 1.07/1.11 (rounded to 1.1), and the averaged value of F{sub n} was 1.75/1.18. F{sub r} of 1.1 has been applied to gynecological cancer implants with expected acute reactions and outcomes as expected based on extensive experience with permanent implants. The calculation also gave the average Cs-131 dose of 126 Gy converted from the I-125 dose of 144 Gy for prostate implants. Conclusions: Inclusion of an allowance for resensitization led to significant dose corrections for Cs-131 permanent implants, and should be applied to prescription dose calculation. The adjustment of the Cs-131 prescription doses with resensitization correction for gynecological permanent implants was consistent with clinical experience and observations. However, the Cs-131 prescription doses converted from other implant doses can be further adjusted based on new experimental results, clinical observations, and clinical outcomes.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

All Electrospray Printing of Carbon–Based Cost–Effective Perovskite Solar Cells

With the power conversion efficiencies of PSCs exceeding 25%, the perovskite solar cells (PSCs) are closer to step into the initial industrialization. Prior to transferring from laboratory fabrication to industrial manufacturing, issues such as scalability, materials cost, and production line compatibility that significantly impact the manufacturing remain to be addressed. Here we report breakthroughs on all these fronts. Carbon-based PSCs with architecture FTO/electron transport layer/perovskite/carbon, that eliminate the need for the hole transport layer and noble metal electrode, provide ultra-low-cost configuration. This PSC architecture was manufactured using a scalable and industrially compatible electrospray (ES) technique, which enables continuous printing of all the cell layers. The ES deposited electron transport layer and perovskite layer exhibited properties comparable to that of the laboratory-scale spin coating method. The ES deposited carbon electrode layer exhibited superior conductivity and interfacial microstructure in comparison to films synthesized using the conventional doctor blading technique. As a result, the fully ES printed carbon-based PSCs showed a record 14.41% power conversion efficiency, rivaling the state-of-the-art hole transporter-free PSCs. Furthermore, these results will immediately have an impact on the scalable production of PSCs.

14 SOLAR ENERGY↗
DOE OSTI2023

Bioleaching to produce clean loblolly pine for thermochemical conversion

Lignocellulosic biomass contains inorganic elements that could induce slagging, ash fouling, and emission of both corrosive and harmful gases during thermochemical conversion. Water leaching pretreatment can remove most of the water-soluble elements, while it has limited industrial applicability due to its ineffectiveness in removing water-insoluble elements. Bioleaching is an alternative pretreatment method which has not been fully studied. In this work, bioleaching by Aspergillus niger strains NRRL 2001, NRRL 3122, and NRRL 567 was conducted to pretreat loblolly pine biomass with added water. Further, the removal of inorganic elements (K, Ca, Mg, and S) by bioleaching with A. niger NRRL 2001 was compared with chemical leaching with citric acid, HCl, and NaOH. It was shown that the pH reduction during bioleaching greatly improved K and Mg leaching to the point comparable to acid leaching, whereas Ca was precipitated by oxalic acid produced by the fungus. Bioleaching was also conducted in manually separated needles and chips components of loblolly pine. Glucose was added at different levels to assist bioleaching. At higher glucose levels, gluconic acid and citric acid were produced during bioleaching, leading to the increase of K, Ca, and Mg removal rates by more than 35%, 180%, and 390%, respectively, from the feedstock as compared with water leaching. Overall, bioleaching greatly improved removal of K, Ca, Mg, but not S from loblolly pine feedstocks as compared with water leaching.

09 BIOMASS FUELS↗