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Fundamental limitations imposed by high doping on the performance of pn junction silicon solar cells

Fundamental limitations imposed on the performance of silicon junction solar cells by physical mechanisms accompanying high doping are described. The one-dimensional mechanisms divide into two broad categories: those associated with band-gap shrinkage and those associated with interband transition rates. By extending the traditional method of analysis and comparing with measurement, it is shown that the latter kind of mechanism dominates in determining the open-circuit voltage in a one-dimensional model of a 0.1 ohm-cm cell at 300 K. As an alternative dominant mechanism, a three-dimensional model involving thermodynamically stable clusters of impurities in the highly-doped diffused layer is suggested.

Lindholm, F. A.↗

A multiphoton treatment of near resonant light scattering in intense fields

The scattering by a two-state atom of monochromatic light of arbitrary intensity and detuning, is treated by solving Schroedinger's equation directly for the state of the scattered field. The calculation is performed in a basis of dressed atom states, which include to all orders the coupling of the incident field to the atom. Amplitudes describing sequences of scattering events are found by a nonperturbative method. A scattered intensity spectrum, directly related to the rate of change of energy in any given scattered field mode, is constructed in terms of bilinear products of the amplitudes representing all possible sequences of photon emission, and in the steady state limit the spectrum is found to be identical to the widely quoted results of Mollow. A discussion is devoted to understanding in physical terms the various quantities appearing in the expression for the intensity spectrum.

Ballagh, R. J.↗

Adaptive data rate control TDMA systems as a rain attenuation compensation technique

Rainfall attenuation has a severe effect on signal strength and impairs communication links for future mobile and personal satellite communications using Ka-band and millimeter wave frequencies. As rain attenuation compensation techniques, several methods such as uplink power control, site diversity, and adaptive control of data rate or forward error correction have been proposed. In this paper, we propose a TDMA system that can compensate rain attenuation by adaptive control of transmission rates. To evaluate the performance of this TDMA terminal, we carried out three types of experiments: experiments using a Japanese CS-3 satellite with Ka-band transponders, in house IF loop-back experiments, and computer simulations. Experimental results show that this TDMA system has advantages over the conventional constant-rate TDMA systems, as resource sharing technique, in both bit error rate and total TDMA burst lengths required for transmitting given information.

Sato, Masaki↗

VLA stereoscopy of solar active regions. 1: Method and tests

We develop a new technique for extracting three-dimensional information from multiday solar Very Large Array (VLA) observations. While standard stereoscopic methods provide a three-dimensional view of an object by combining simultaneous observations from two different aspect angles, we relax the condition of simultaneity and exploit solar rotation to vary the aspect angle. The solar radio images are decomposed into Gaussian source components, which are then cross-correlated in maps from preceding and following days. This provides measurements of the three-dimensional position of correlated source centroids. In this first paper, we describe the stereoscopic method and perform tests with simulated and real radio maps (from the VLA at 20 cm), in order to study the accuracy of altitude measurements, and the limitations introduced by (i) source confusion, (ii) source motion, and (iii) the assumed differential rotation rate. The tests demonstrate that (i) the information content of a VLA map relevant for stereoscopic correlation can be conveniently represented in terms of a small number of Gaussian components; (ii) the fitting of the three-dimensional source position is stable within a numerical accuracy of less than or approximately equal to 0.02 map pixels, (iii) the relative accuracy of the altitude determination is uniform over the solar disk, and (iv) source confusion does not affect the accuracy of stereoscopic position measurements for sources with a signal-to-noise ratio of greater than or approximately equal to 36.

Aschwanden, Markus J.↗

Multi-Objective Optimal Control of the 6-DoF Aeroservoelastic Common Research Model with Aspect Ratio 13.5 Wing

A new 6-DoF aeroservoelastic (ASE) Common Research Model (CRM) provided by The Boeing Company with aspect ratio 13.5 and 17 control surfaces per wing is utilized to demonstrate combined tracking and optimal multi-objective control. The multi-objective controller is derived on the closed loop tracking controller, and utilizes state and gust estimates provided by an extended state observer. Various methods of model reduction useful for control and estimation are presented. A computationally efficient MATLAB/Simulink simulation is presented which includes actuator dynamics, rate and deflection saturation limits, and gust disturbance inputs. The platform is used to demonstrate excellent 6-DoF tracking control performance coupled with the multi-objective controller, which is shown to effectively reduce structural mode movement, wing root bending moment, and drag. State and gust estimation is also shown to perform well, even when derived and/or implemented with significantly fewer states than the original full-sized model.

Drew, Michael C.↗

Teal Cycle Ergometer Vibration Isolation and Stabilization System Human-in-the-Loop Ground Evaluation for Long-Duration Spaceflight

Purpose: To counter the deleterious effects of weightlessness on the cardiopulmonary system, astronauts living on the International Space Station exercise on a variety of countermeasure equipment including the Cycle Ergometer Vibration Isolation and Stabilization System (CEVIS). Operational since 2001, the onboard CEVIS will be replaced by a new model, known as Teal CEVIS (TC). As a part of ground evaluation, TC hardware underwent human-in-the-loop (HITL) testing to verify the TC hardware produces workloads that elicit physiologic responses comparable to a laboratory cycle ergometer (LAB). Methods: Seven subjects (5 M/2 F) performed submaximal cycle ergometer testing with indirect calorimetry measures on TC and LAB on separate test days. Testing consisted of graded 30 watt increases in workload until subjects reached 85% of age-predicted max heart rate (HR). Exercise outcomes included rate of oxygen uptake (VO2; liters/min), rate of energy expenditure (REE; kcal/min), and HR (beats/min). Linear mixed models (LMM) were fitted to compare VO2, REE, and HR responses between devices across power outputs with fixed effects for power (P) and device (D) and with random effects for subject. LMM effect coefficients (β), std errors (SE), pseudo-partial R2 of effects (pR2), and model likelihood ratio statistics (χ2, Pr(> chisq); α<.05) are provided. Results: LMM main effects for P and D were observed for VO2 (βp=.0107, SE = .0002, pR2=0.97; βd = -0.075, SE = 0.019, pR2=0.14; χ2(1)= 13.57, p<.001), such that VO2 was higher across stages on TC. Main effects of P and D were observed for REE (βp= .0586, SE = 0.001, pR2= 0.97; βd = -0.33208, SE = 0.099, pR2= 0.056; χ2(1)=10.481, p < .01), such that REE was higher across power outputs on TC. A P x D interaction was observed for HR, along with main effects for P and D (βp x d =-0.048, SE = 0.02, pR2=0.048; βp= 0.42, SE = 0.016, pR2=0.87; χ2(1) = 5.398, p = 0.02), such that higher workloads elicited a greater difference in HR between devices. Conclusions: HITL results show, TC elicits greater physiologic responses across power outputs compared to LAB. However, pR2 for device effects show small differences between devices. Therefore, TC can be expected to provide appropriate physiological stimulus across workloads and be considered a reliable tool to mitigate the effects of weightlessness.

Cycle Ergometer Vibration and Isolation System↗

Prediction of Performance of a Pilot-Scale Dual Fluidized Bed System for Chemical Looping with Oxygen Uncoupling

Chemical looping with oxygen uncoupling (CLOU) is a variant of chemical looping combustion that involves spontaneous release of gaseous oxygen in the fuel reactor, which enables efficient combustion of solid fuel char. The University of Utah has constructed a 200 kW pilot-scale chemical looping process development unit (PDU) consisting of two fluidized beds. The CLOU oxygen carrier uses copper as the active metal, cycling between cupric (CuO) and cuprous (Cu2O) oxides. As an aid for design, troubleshooting and evaluation of the pilot system, a CFD model has been developed using CPFD Software’s Barracuda VR software. The 3D model includes both reactors, as well as loop seals and cyclone separators. Mechanisms describing CLOU reaction kinetics for cuprous oxide oxidation in the air reactor and cupric oxide reduction in the fuel reactor were adapted from previously reported experimental work. Coal char kinetics were based on the carbon-hydrogen-nitrogen-oxygen-sulfur, CHNOS, method. Submodels for devolatilization, gasification, and homogenous gas-phase reactions used preexisting relationships in the literature. Three different simulations were performed, analyzing the influence of particle properties (a base carrier and an alternate carrier referred to as cariact) and coal feeding rate (100kW, 200kW). Increased coal feeding rate caused significant increase in cuprious oxide oxidation in the air reactor as well as higher temperature. The alternate carrier predicted CO2 capture below 90%, in contrast to the other cases.

Reinking, Zachary↗

SU-C-304-01: Investigation of Various Detector Response Functions and Their Geometry Dependence in a Novel Method to Address Ion Chamber Volume Averaging Effect

Purpose: A novel convolution-based approach has been proposed to address ion chamber (IC) volume averaging effect (VAE) for the commissioning of commercial treatment planning systems (TPS). We investigate the use of various convolution kernels and its impact on the accuracy of beam models. Methods: Our approach simulates the VAE by iteratively convolving the calculated beam profiles with a detector response function (DRF) while optimizing the beam model. At convergence, the convolved profiles match the measured profiles, indicating the calculated profiles match the “true” beam profiles. To validate the approach, beam profiles of an Elekta LINAC were repeatedly collected with ICs of various volumes (CC04, CC13 and SNC 125) to obtain clinically acceptable beam models. The TPS-calculated profiles were convolved externally with the DRF of respective IC. The beam model parameters were reoptimized using Nelder-Mead method by forcing the convolved profiles to match the measured profiles. We evaluated three types of DRFs (Gaussian, Lorentzian, and parabolic) and the impact of kernel dependence on field geometry (depth and field size). The profiles calculated with beam models were compared with SNC EDGE diode-measured profiles. Results: The method was successfully implemented with Pinnacle Scripting and Matlab. The reoptimization converged in ∼10 minutes. For all tested ICs and DRFs, penumbra widths of the TPS-calculated profiles and diode-measured profiles were within 1.0 mm. Gaussian function had the best performance with mean penumbra width difference within 0.5 mm. The use of geometry dependent DRFs showed marginal improvement, reducing the penumbra width differences to less than 0.3 mm. Significant increase in IMRT QA passing rates was achieved with the optimized beam model. Conclusion: The proposed approach significantly improved the accuracy of the TPS beam model. Gaussian functions as the convolution kernel performed consistently better than Lorentzian and parabolic functions. Further improvement of using geometry-dependent kernels was marginal.

60 APPLIED LIFE SCIENCES↗

Mortality correlates with tree functional traits across a wood density gradient in the Central Amazon

Introduction: Understanding the mechanisms of tree mortality in tropical ecosystems remains challenging, in part due to the high diversity of tree species and the inherently stochastic nature of mortality. Plant functional traits offer a mechanistic link between plant physiology and performance, yet their ability to predict growth and mortality remains poorly understood. Given recent increases in tree mortality rates in the Amazon forest following extreme drought and wind events, we tested if lower wood density and acquisitive plant functional traits were associated with increased growth and mortality for common co-occurring trees in the Central Amazon. Methods: Seventeen trees of different species with similar sizes but a range in wood density (WD) and wood traits were felled, then assessed for 27 different individual functional parameters, including whole tree architecture, stem xylem anatomical and hydraulic traits and leaf traits. Traits of the individual trees were related to stand-level growth and mortality rates collected periodically over 30 years from nearby permanent inventory plots. Results: Higher wood density was associated with smaller leaf size, lower foliar base cations, lower stem water content and sapwood fraction, in agreement with the fast-slow plant economics spectrum. Lower wood density was associated with more acquisitive characteristics with greater hydraulic capacity and foliar nutrient concentrations, correlating with greater growth and mortality rates. Discussion: Our results show that lower wood density is part of a coordinated suite of traits linked to high resource acquisition, fast growth, and increased mortality risk, providing a functional framework for predicting species performance and forest vulnerability under future climate stress.

demographics↗

Phase 2 Trial of De-intensified Chemoradiation Therapy for Favorable-Risk Human Papillomavirus–Associated Oropharyngeal Squamous Cell Carcinoma

Purpose: To perform a prospective, multi-institutional, phase 2 study of a substantial decrease in concurrent chemoradiation therapy (CRT) intensity as primary treatment for favorable-risk, human papillomavirus–associated oropharyngeal squamous cell carcinoma. Methods and Materials: The major inclusion criteria were: (1) T0 to T3, N0 to N2c, M0; (2) human papillomavirus or p16 positive; and (3) minimal/remote smoking history. Treatment was limited to 60 Gy intensity modulated radiation therapy with concurrent weekly intravenous cisplatinum (30 mg/m{sup 2}). The primary study endpoint was pathologic complete response (pCR) rate based on required biopsy of the primary site and dissection of pretreatment positive lymph node regions, regardless of radiographic response. Power computations were performed for the null hypothesis that the pCR rate is 87% and n=40, resulting in a type 1 error of 14.2%. Secondary endpoint measures included physician-reported toxicity (Common Toxicity Terminology for Adverse Events, CTCAE), patient-reported symptoms (PRO-CTCAE), and modified barium swallow studies. Results: The study population was 43 patients. The pCR rate was 86% (37 of 43). The incidence of CTCAE grade 3/4 toxicity and PRO-CTCAE severe/very severe symptoms was as follows: mucositis 34%/45%, general pain 5%/48%, nausea 18%/52%, vomiting 5%/34%, dysphagia 39%/55%, and xerostomia 2%/75%. Grade 3/4 hematologic toxicities were 11%. Thirty-nine percent of patients required a feeding tube for a median of 15 weeks (range, 5-22 weeks). There were no significant differences in modified barium swallow studies before and after CRT. Conclusions: The pCR rate with decreased intensity of therapy with 60 Gy of IMRT and weekly low-dose cisplatinum is very high in favorable-risk oropharyngeal squamous cell carcinoma, with evidence of decreased toxicity compared with standard therapies. (ClinicalTrials.gov) ID: (NCT01530997).

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Reliable Power Rating of Perovskite PV Modules: Preprint

As the perovskite technology is ramping up into commercialization, reliable and accurate power rating of large-size perovskite modules becomes a prominent aspect for its future deployment in the PV market. It is known that the performance calibration of perovskite PV devices is very challenging due to its complex dynamic response during a conventional current-voltage (IV) measurement. PV researchers have previously proposed several steady-state performance calibration methods to reliably extract PV efficiencies, but mostly focus on small area research-type cells. In this paper, we emphasize the importance of reliable performance calibration on large-size perovskite modules. Extending the NREL Cell and Module Performance (CMP) group’s steady-state performance calibration protocol (i.e., Asymptotic PMAX Scan) for perovskite cells to modules, we justify the necessity of reporting steady-state efficiencies for perovskite cells and discuss the challenges of applying this protocol to modules. We also present our protocol for Maximum Power Point Tracking (MPPT), which is a technique often used for performance calibration of perovskite cells and modules, and show a comparison between MPPT and Asymptotic PMAX. Using MPPT we demonstrate the interplay between metastability and degradation in perovskite modules, and emphasize the necessity to develop preconditioning protocols for stabilizing these devices. Our aim is to promote development of consensus protocols for performance calibration of perovskite modules, and to advance their credible power ratings, which will be beneficial to the growth of perovskite technology in the PV market.

41 EE - Solar Energy Technologies Office (EE-4S)↗

LC/MS Method for the Determination of Stable Isotope Labeled Promethazine in Human Plasma

Promethazine (PMZ) is taken by astronauts orally (PO), intramuscularly (IM) or rectally (PR) for space motion sickness. LC/MS method was developed with off-line solid phase extraction to measure plasma concentrations of PMZ given as stable isotope-labeled (SIL) formulations by the three different routes of administration simultaneously. Samples (0.5ml) were loaded on to Waters Oasis HLB co-polymer cartridges and eluted with 1.0 mL methanol. HPLC separation of the eluted sample was performed using an Agilent Zorbax SB-CN column (50 x 2.1 mm) at a flow rate of 0.2 mL/min for 6 min. Acetonitrile/ ammonium acetate (30 mM) in water (3:2, v/v), pH 5.6 plus or minus 0.1, was used as the mobile phase for separation. Concentrations of PMZ, PMZ-d4 and PMZ-d7 and chlorpromazine (internal standard) were determined using a Micromass ZMD single quadrupole mass spectrometer with Electrospray Ionization (ESI). ESI mass spectra were acquired in positive ion mode with selected ion monitoring of [M+ H]dot plus. The method is rapid, reproducible and the assay specific parameters are listed in a table. A novel, sensitive and specific method for the measurement of PMZ and SIL PMZ in human plasma is reported.

Zuwei, Wang↗

Experimental study and demonstration of pilot-scale oxy-coal combustion at elevated temperatures and pressures

High pressure oxy-fuel firing is a promising next-generation combustion technology for electricity generation, allowing net efficiency improvement compared to traditional oxy-fuel firing systems. Oxy-coal combustion has been extensively investigated at ambient pressure, but limited experimental data is available regarding this combustion method at elevated pressures at pilot or full scale. The study presented here investigates the operational performance of a high pressure, high temperature pilot-scale oxy-fuel combustor. Pulverized Utah bituminous coal in form of coal-water slurry was combusted at pressures up to 14 bar, temperatures up to 1600 °C and firing rates up to 300 kW. Eight different runs were selected for presentation and the measurements include flue gas composition (CO, CO 2 , CH 4 , SO 2 , O 2 ), carbon and sulfur content of fly ash, combustor temperature profile and flame radiation profile. The flame radiation measurements were carried out with a novel narrow beam radiometer which measures local radiant heat flux at a specific location in the combustor. The radiation ranged from 108 to 279 kW/m 2 depending mainly on combustor temperature. Additionally, the temperature significantly impacted the carbon content of fly ash: 2.66% was measured near 1600 °C, while the concentration increased to 36.7% when the temperature was decreased to 1300°C. Furthermore, the successful experimental demonstrations showed that increasing pressure is a viable combustion method and a step towards enhancing the efficiency in oxy-fuel firing based power plants.

01 COAL, LIGNITE, AND PEAT↗

SU-F-BRE-11: Neutron Measurements Around the Varian TrueBeam Linac

Purpose: With the emergence of flattening filter free (FFF) photon beams, several authors have noted many advantages to their use. One such advantage is the decrease in neutron production by photonuclear reactions in the linac head. In the present work we investigate the reduction in neutrons from a Varian TrueBeam linac using the Nested Neutron Spectrometer (NNS, Detec). The neutron spectrum, total fluence and source strength were measured and compared for 10 MV with and without flattening filter and the effect of moderation by the room and maze was studied for the 15 MV beam. Methods: The NNS, similar to traditional Bonner sphere detectors but operated in current mode, was used to measure the neutron fluence and spectrum. The NNS was validated for use in high dose rate environments using Monte Carlo simulations and calibrated at NIST and NRC Canada. Measurements were performed at several positions within the treatment room and maze with the linac jaws closed to maximize neutron production. Results: The measurements showed a total fluence reduction between 35-40% in the room and maze when the flattening filter was removed. The neutron source strength Qn was calculated from in-room fluence measurements and was found to be 0.042 × 10{sup 2} n/Gy, 0.026 × 10{sup 2} n/Gy and 0.59 × 101{sup 2} n/Gy for the 10 MV, the 10 MV FFF and 15 MV beams, respectively. We measured ambient equivalent doses of 11 mSv/hr, 7 mSv/hr and 218 mSv/hr for the 10 MV, 10 MV FFF and 15 MV by the head. Conclusion: Our measurements revealed a decrease in total fluence, neutron source strength and equivalent dose of approximately 35-40% across the treatment room for the FFF compared to FF modes. This demonstrates, as expected, that the flattening filter is a major component of the neutron production for the TrueBeam. The authors greatly acknowledge support form the Canadian Nuclear Commission and the Natural Sciences and Engineering Research Council of Canada through the CREATE program. Co-authors Dubeau and Witharana are employees of Detec (Gatineau, Quebec), manufacturer of the Nested Neutron Spectrometer.

07 ISOTOPE AND RADIATION SOURCES↗

Materials for Advanced Ultrasupercritical Steam Turbines Task 4: Cast Superalloy Development

The Steam Turbine critical stationary structural components are high integrity Large Shell and Valve Casing heavy section Castings, containing high temperature steam under high pressures. Hence to support the development of advanced materials technology for use in an AUSC steam turbine capable of operating with steam conditions of 760°C (1400°F) and 35 Mpa (5000 psia), Casting alloy selection and evaluation of mechanical, metallurgical properties and castability with robust manufacturing methods are mandated. Alloy down select from Phase 1 based on producability criteria and creep rupture properties tested by NETL-Albany and ORNL directed the consortium to investigate cast properties of Haynes 282 and Haynes 263. The goals of Task 4 in Phase 2 are to understand a broader range of mechanical properties, the impact of manufacturing variables on those properties. Scale up the size of heats to production levels to facilitate the understanding of the impact of heat and component weight, on metallurgical and mechanical behavior. GE Power & Water Materials and Processes Engineering for the Phase 2, Task 4.0 Castings work, systematically designed and executed casting material property evaluation, multiple test programs. Starting from 15 lbs. cylinder castings to world’s first 17,000 lbs. poured weight, heavy section large steam turbine partial valve Haynes 282 super alloy casting. This has demonstrated scalability of the material for steam Turbine applications. Activities under Task 4.0, Investigated and characterized various mechanical properties of Cast Haynes 282 and Cast Nimonic 263. The development stages involved were: 1) Small Cast Evaluation: 4 inch diam. Haynes 282 and Nimonic 263 Cylinders. This provided effects of liquidus super heat range and first baseline mechanical data on cast versions of conventional vacuum re-melted and forged Ni based super alloys. 2) Step block castings of 300 lbs. and 600 lbs. Haynes 282 from 2 foundry heats were evaluated which demonstrated the importance of proper heat treat cycles for Homogenization, and Solutionizing parameters selection and implementation. 3) Step blocks casting of Nimonic 263: Carried out casting solidification simulation analysis, NDT inspection methods evaluation, detailed test matrix for Chemical, Tensile, LCF, stress rupture, CVN impact, hardness and J1C Fracture toughness section sensitivity data and were reported. 4) Centrifugal Casting of Haynes 282, weighing 1400 lbs. with hybrid mold (half Graphite and half Chromite sand) mold assembly was cast using compressor casing production tooling. This test provided Mold cooling rates influence on centrifugally cast microstructure and mechanical properties. Graphite mold section out performs sand mold across all temperatures for 0.2% YS; %Elongation, %RA, UTS at 1400°F. Both Stress-LMP and conditional Fracture toughness plots data were in the scatter band of the wrought alloy. 5) Fundamental Studies on Cooling rates and SDAS test program. Evaluated the influence of 6 mold materials Silica, Chromite, Alumina, Silica with Indirect Chills, Zircon and Graphite on casting solidification cooling rates. Actual Casting cooling rates through Liquidus to Solidus phase transition were measured with 3 different locations based thermocouples placed in each mold. Compared with solidification simulation cooling rates and measurement of SDAS, microstructure features were reported. The test results provided engineered casting potential methods, applicable for heavy section Haynes 282 castings for optimal properties, with foundry process methods and tools. 6) Large casting of Haynes 282 Drawings and Engineering FEM models and supplemental requirements with applicable specifications were provided to suppliers for the steam turbine proto type feature valve casing casting. Molding, melting and casting pouring completed per approved Manufacturing Process Plan during 2014 Q4. The partial valve casing was successfully cast after casting methods were validated with solidification simulation analysis and the casting met NDT inspection and acceptance criteria. Heat treated and sectioned to extract trepan samples at different locations comparing with cast on coupons test data. Material properties requisite for design, such as tensile, creep/rupture, LCF, Fracture Toughness, Charpy V-notch chemical analysis testing were carried out. The test results will be presented in the final report. The typical Haynes 282 large size Steam Turbine production casting from Order to Delivery foundry schedule with the activity break up is shown in Figures 107 and 108. • From Purchase Order placement to Casting pouring ~ 26 weeks. 1. Sales and commercial review 3 2. Engineering Drawings/models review 4 3. Pattern and core box manufacturing 6 4. Casting process engineering review 4 5. FEM and solidification simulation analysis 4 6. Gating & Feeder Attachments, Ceramic tiling 2 7. Molding and coremaking production scheduling 6 8. Melting planning and schedule 3 9. Pouring, cooling and shake out 2 • From Pouring to casting Delivery ~ 29 weeks 10. Shot blast and riser cutting, gates removal 3 11. Homogenizing , solutionizing HT furnace prep 4 12. Grinding, Fettling 2 13. Aging HT Cycle, cooling 2 14. VT and LPT NDT inspections 2 15. Radiographic inspection 4 16. Mechanical testing, Chemical analysis test certs 4 17. Casting weld repair upgrades and Aging PWHT 4 18. NDT after weld repairs and casting upgrades 3 19. Casting Final Inspection and test certifications 3 20. Package and delivery 2 Hence the Total Lead time from P.O to Casting delivery is approximately 55 weeks. The Task 4.2 and Task 4.3 activities and reporting completed.

Thangirala, Mani↗

Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we develop a generalized framework for performing OF-DFT simulations with different variants of the electronic kinetic energy. In particular, we propose a self-consistent field (SCF) type fixed-point method for calculations involving linear-response kinetic energy functionals. In this framework, evaluation of both the electronic ground-state and forces on the nuclei are amenable to computations that scale linearly with the number of atoms. We develop a parallel implementation of this formulation using the finite-difference discretization. We demonstrate that higher-order finite-differences can achieve relatively large convergence rates with respect to mesh-size in both the energies and forces. Additionally, we establish that the fixed-point iteration converges rapidly, and that it can be further accelerated using extrapolation techniques like Anderson's mixing. We validate the accuracy of the results by comparing the energies and forces with plane-wave methods for selected examples, including the vacancy formation energy in Aluminum. Overall, the suitability of the proposed formulation for scalable high performance computing makes it an attractive choice for large-scale OF-DFT calculations consisting of thousands of atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Reliable Power Rating of Perovskite PV Modules

As the perovskite technology is ramping up into commercialization, reliable and accurate power rating of large-size perovskite modules becomes a prominent aspect for its future deployment in the PV market. It is known that the performance calibration of perovskite PV devices is very challenging due to its complex dynamic response during a conventional current-voltage (IV) measurement. PV researchers have previously proposed several steady-state performance calibration methods to reliably extract PV efficiencies, but mostly focus on small area research-type cells. In this paper, we emphasize the importance of reliable performance calibration on large-size perovskite modules. Extending the NREL Cell and Module Performance (CMP) group's steady-state performance calibration protocol (i.e., Asymptotic P MAX Scan) for perovskite cells to modules, we justify the necessity of reporting steady-state efficiencies for perovskite cells and discuss the challenges of applying this protocol to modules. We also present our protocol for Maximum Power Point Tracking (MPPT), which is a technique often used for performance calibration of perovskite cells and modules, and show a comparison between MPPT and Asymptotic P MAX . Using MPPT we demonstrate the interplay between metastability and degradation in perovskite modules, and emphasize the necessity to develop preconditioning protocols for stabilizing these devices. Our aim is to promote development of consensus protocols for performance calibration of perovskite modules, and to advance their credible power ratings, which will be beneficial to the growth of perovskite technology in the PV market.

perovskite↗

Optimized Viewing Techniques to Minimize Radiation Damage From X-ray Imaging Systems

X-ray inspection of ball grid arrays (BGAs) is typically performed at one or more viewing angles to examine adhesion sites for errors such as voids, joint cracking, or head-in-pillow. During this inspection process, the cir cuit board assembly is subject to ionizing radiation exposure, which can cause trapped charge within oxide layers of semiconductor devices. Some x-ray machines allow for programmable inspection routines, which could be used to optimize radiation exposure to semiconductor components. Using Monte Carlo methods, x-ray inspection of a BGA was simulated to determine a range of acceptable viewing angles. Dose rates to circuit board components were estimated at each inspection angle to determine the view resulting in optimized radiation exposure. Results showed that for each BGA, the maximum unobstructed viewing times without exceeding a 5 Gy dose limit to a single part ranged from 82 to 94 minutes. Using a radiation cost function method, optimized viewing across all components was found. Here, it was observed that for a consistent dose limit applied to silicon-based components, performing inspection with BGAs facing the x-ray source was optimal. A third method was applied, assigning individual dose limits based on empirical data from the NASA Goddard Space Flight Center radiation database. This method showed that optimized viewing maximizes the distance between the radiation source and highly sensitive components. It was also observed that cumulative effects from viewing two BGAs will influence viewing angles, causing the optimal view of one BGA to exist nearly 180° from the other.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗