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High-Moisture Diet for Laboratory Rats: Complete Blood Counts, Serum Biochemical Values, and Intestinal Enzyme Activity

Rats were fed an irradiated high-moisture diet (KSC-25) with or without access to a water bottle. Physiologic values were compared between these two groups and a group of rats fed a purified diet. Hematologic and serum biochemical values, urine specific gravity, and intestinal enzyme activities were determined from samples collected from the three groups of rats. Sprague Dawley rats (n=32) fed the irradiated high-moisture diet with or without a water bottle were the test animals. Rats (n=16) fed an irradiated purified diet and water provided via a water bottle were the control group. The purified diet formulation, modified AIN-76A, is a commonly used purified diet for laboratory rodents. All rats remained alert and healthy throughout the study. A comparison of the physiologic values of rats in this study with reported normal values indicated that all of the rats in the study were in good health. Significant differences (P less than 0.05) of the physiologic values from each rat group are reported.

Battles, August H.↗

Assessment Environment for Complex Systems Software Guide

This Software Guide (SG) describes the software developed to test the Assessment Environment for Complex Systems (AECS) by the West Virginia High Technology Consortium (WVHTC) Foundation's Mission Systems Group (MSG) for the National Aeronautics and Space Administration (NASA) Aeronautics Research Mission Directorate (ARMD). This software is referred to as the AECS Test Project throughout the remainder of this document. AECS provides a framework for developing, simulating, testing, and analyzing modern avionics systems within an Integrated Modular Avionics (IMA) architecture. The purpose of the AECS Test Project is twofold. First, it provides a means to test the AECS hardware and system developed by MSG. Second, it provides an example project upon which future AECS research may be based. This Software Guide fully describes building, installing, and executing the AECS Test Project as well as its architecture and design. The design of the AECS hardware is described in the AECS Hardware Guide. Instructions on how to configure, build and use the AECS are described in the User's Guide. Sample AECS software, developed by the WVHTC Foundation, is presented in the AECS Software Guide. The AECS Hardware Guide, AECS User's Guide, and AECS Software Guide are authored by MSG. The requirements set forth for AECS are presented in the Statement of Work for the Assessment Environment for Complex Systems authored by NASA Dryden Flight Research Center (DFRC). The intended audience for this document includes software engineers, hardware engineers, project managers, and quality assurance personnel from WVHTC Foundation (the suppliers of the software), NASA (the customer), and future researchers (users of the software). Readers are assumed to have general knowledge in the field of real-time, embedded computer software development.

tests↗

Design, Development and Testing of the GMI Reflector Deployment Assembly

The GMI Reflector Deployment Assembly (RDA) is an articulating structure that accurately positions and supports the main reflector of the Global Microwave Imager (GMI) throughout the 3 year mission life. The GMI instrument will fly on the core Global Precipitation Measurement (GPM) spacecraft and will be used to make calibrated radiometric measurements at multiple microwave frequencies and polarizations. The GPM mission is an international effort managed by the National Aeronautics and Space Administration (NASA) to improve climate, weather, and hydrometeorological predictions through more accurate and frequent precipitation measurements1. Ball Aerospace and Technologies Corporation (BATC) was selected by NASA Goddard to design, build, and test the GMI instrument. The RDA was designed and manufactured by ATK Aerospace Systems Group to meet a number of challenging packaging and performance requirements. ATK developed a flight-like engineering development unit (EDU) and two flight mechanisms that have been delivered to BATC. This paper will focus on driving GMI instrument system requirements, the RDA design, development, and test activities performed to demonstrate that requirements have been met.

Guy, Larry↗

RSRA sixth scale wind tunnel test. Tabulated balance data, volume 2

Summaries are presented of all the force and moment data acquired during the RSRA Sixth Scale Wind Tunnel Test. These data include and supplement the data presented in curve form in previous reports. Each summary includes the model configuration, wing and empennage incidences and deflections, and recorded balance data. The first group of data in each summary presents the force and moment data in full scale parametric form, the dynamic pressure and velocity in the test section, and the powered nacelle fan speed. The second and third groups of data are the balance data in nondimensional coefficient form. The wind axis coefficient data corresponds to the parametric data divided by the wing area for forces and divided by the product of the wing area and wing span or mean aerodynamic chord for moments. The stability axis data resolves the wind axis data with respect to the angle of yaw.

Ruddell, A.↗

Development of Ultra-Fine Multigroup Cross Section Library of the AMPX/SCALE Code Packages

The Consortium for Advanced Simulation of Light Water Reactors Virtual Environment for Reactor Applications (VERA) neutronic simulator MPACT is being developed by Oak Ridge National Laboratory and the University of Michigan for various reactor applications. The MPACT and simplified MPACT 51- and 252-group cross section libraries have been developed for the MPACT neutron transport calculations by using the AMPX and Standardized Computer Analyses for Licensing Evaluations (SCALE) code packages developed at Oak Ridge National Laboratory. It has been noted that the conventional AMPX/SCALE procedure has limited applications for fast-spectrum systems such as boiling water reactor (BWR) fuels with very high void fractions and fast reactor fuels because of its poor accuracy in unresolved and fast energy regions. This lack of accuracy can introduce additional error sources to MPACT calculations, which is already limited by the Bondarenko approach for resolved resonance self-shielding calculation. To enhance the prediction accuracy of MPACT for fast-spectrum reactor analyses, the accuracy of the AMPX/SCALE code packages should be improved first. The purpose of this study is to identify the major problems of the AMPX/SCALE procedure in generating fast-spectrum cross sections and to devise ways to improve the accuracy. For this, various benchmark problems including a typical pressurized water reactor fuel, BWR fuels with various void fractions, and several fast reactor fuels were analyzed using the AMPX 252-group libraries. Isotopic reaction rates were determined by SCALE multigroup (MG) calculations and compared with continuous energy (CE) Monte Carlo calculation results. This reaction rate analysis revealed three main contributors to the observed differences in reactivity and reaction rates: (1) the limitation of the Bondarenko approach in coarse energy group structure, (2) the normalization issue of probability tables, and (3) neglect of the self-shielding effect of resonance-like cross sections at high energy range such as (n,p) cross section of Cl35. The first error source can be eliminated by an ultra-fine group (UFG) structure in which the broad scattering resonances of intermediate-weight nuclides can be represented accurately by a piecewise constant function. A UFG AMPX library was generated with modified probability tables and tested against various benchmark problems. The reactivity and reaction rates determined with the new UFG AMPX library agreed very well with respect to Monte Carlo Neutral Particle (MCNP) results. To enhance the lattice calculation accuracy without significantly increasing the computational time, performing the UFG lattice calculation in two steps was proposed. In the first step, a UFG slowing-down calculation is performed for the corresponding homogenized composition, and UFG cross sections are collapsed into an intermediate group structure. In the second step, the lattice calculation is performed for the intermediate group level using the condensed group cross sections. A preliminary test showed that the condensed library reproduces the results obtained with the UFG cross section library. This result suggests that the proposed two-step lattice calculation approach is a promising option to enhance the applicability of the AMPX/SCALE system to fast system analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Preliminary modeling of triply periodic minimal surface (TPMS) structures using RELAP5-3D

With the United States Department of Energy (DOE)’s goal of quadrupling the nation’s nuclear energy supply by 2050, and with the Advanced Fuels Campaign pushing for new types of advanced reactor fuels and geometries, the need has arisen for new nuclear fuel designs. One such design is to swap out current nuclear fuel geometries in exchange for another type of geometry, called a Triply Periodic Minimal Surface (TPMS). TPMSs are self-supporting, infinitely repeating lattices—attributes that lend themselves well to additive manufacturing. These surfaces also possess enhanced heat transfer properties thanks to their internal area changes and large surface-area-to-volume ratios. Their drawback, however, is an increased pressure drop. Given the small amount of correlations and data (Reynolds numbers in the 2,000–8,000 range), and the minimal amount of experience so far obtained by modeling TPMS structures using 1D systems codes such as the Reactor Excursion and Leak Analysis Program (RELAP5-3D), further research into this topic was needed. Using data from the University of Wisconsin - Madison (UW), curve fits were created for both a Heat Transfer Coefficient (HTC) correlation and a Darcy friction factor empirical coefficient correlation. The curves’ coefficients and multipliers were then output and utilized in RELAP5-3D models of two upcoming experiments—Flow Loop for INFLUX Pressure drop (FLIP) and Microreactor Agile Non-nuclear Experimental Test (MAGNET)—aimed at increasing the available data for Reynolds numbers to the 16,000–36,000 range for TPMS structures. The models were run under the conditions utilized by a Computational Fluid Dynamics (CFD) analysis performed by another group at Idaho National Laboratory. Only CFD pressure drop values were obtained from the FLIP test, and those values showed that the RELAP5-3D models had a lower rate of pressure increase in comparison to the CFD values. In addition, there seemed to be a vertical shift upward in the pressure drop for both models whenever the TPMS porosity decreased, and the RELAP5-3D models showed a higher vertical shift in comparison to the CFD values. The MAGNET results did not correspond to any CFD or experimental results against which they could be compared, so they were instead compared against the proposed CFD input conditions. These values were then compared with each other to make sure the model seemed to be performing as expected, paving the way for future tests that can be run for the purpose of further analyses and comparisons. The pressure drop increased with temperature and mass flow rate independently. The temperature change would decrease with increasing mass flow rate and temperature, which was just as we expected based on the fact that the lower viscosity and decreased density would result in higher friction and churning losses. The last metric that was assessed was the enthalpy flow change, which increased with increasing mass flow rate and decreasing temperature.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A refined methodology for stress inversions of earthquake focal mechanisms: Refined Stress Inversion Methodology

We develop an improved methodology for reliable high-resolution inversions of focal mechanisms to background stress field orientation and stress ratio R in two or three dimensions. The earthquake catalog is declustered to remove events likely affected strongly by local stress interactions rather than reflecting the large-scale background stress field. The declustered data are discretized with the k-means algorithm into groups containing a number of focal mechanisms between a minimum number N min and 2N min . Synthetic tests indicate that N min ≈ 30 provides stable inversion results under different stress regimes and noise conditions when R ≈ 0.5, while N min ≈ 45 is needed for R near 0 or 1. Additional synthetic tests compare the performance of selecting the fault plane of each focal mechanism using (a) the plane with lowest misfit angle between the slip vector from the focal mechanism and shear traction from the stress tensor and (b) the plane with highest instability coefficient representing proximity to the optimally oriented fault for given stress field and friction coefficient. The instability criterion is found to provide more accurate inversion results under all tested stress regimes, stress ratios, and noise conditions. The refined inversion methodology combines selecting fault planes using the instability criterion iteratively with a damped simultaneous inversion of different focal mechanism groups. Results characterizing neighborhoods of discretized domains merged during the damped inversion provide high-resolution information independent of the discretization. Some aspects of the methodology are illustrated with focal mechanism data from the San Jacinto Fault Zone in Southern California.

58 GEOSCIENCES↗

Liquid chromatographic analysis of a formulated ester from a gas-turbine engine test

Size exclusion chromatography (SEC) utilizing mu-Bondagel and mu-Styragel columns with a tetrahydrofuran mobile phase was used to determine the chemical degradation of lubricant samples from a gas-turbine engine test. A MIL-L-27502 candidate, ester-based lubricant was run in a J57-29 engine at a bulk oil temperature of 216 C. In general, the analyses indicated a progressive loss of primary ester, additive depletion, and formation of higher molecular weight material. An oil sample taken at the conclusion of the test showed a reversal of this trend because of large additions of new oil. The high-molecular-weight product from the degraded ester absorbed strongly in the ultraviolet region at 254 nanometers. This would indicate the presence of chromophoric groups. An analysis of a similar ester lubricant from a separate high-temperature bearing test yielded qualitatively similar results.

Jones, W. R., Jr.↗

A Collaborative Web-Based Approach to Planning Research, Integration, and Testing Using a Wiki

The National Aeronautics and Space Administration Integrated Vehicle Health Management program touches on many different research areas while striving to enable the automated detection, diagnosis, prognosis, and mitigation of adverse events at the aircraft and system level. At the system level, the research focus is on the evaluation of multidisciplinary integrated methods, tools, and technologies for achieving the program goal. The participating program members form a diverse group of government, industry, and academic researchers. The program team developed the Research and Test Integration Plan in order to track significant test and evaluation activities, which are important for understanding, demonstrating, and communicating the overall project state and project direction. The Plan is a living document, which allows the project team the flexibility to construct conceptual test scenarios and to track project resources. The Plan also incorporates several desirable feature requirements for Plan users and maintainers. A wiki has proven to be the most efficient and effective means of implementing the feature requirements for the Plan. The wiki has proven very valuable as a research project management tool, and there are plans to expand its scope.

Delaney, Michael M.↗

Development of design, qualification, screening, and application requirements for plastic encapsulated solid-state devices for space applications

Test data were collected on 1035 plastic encapsulated devices and 75 hermetically scaled control group devices that were purchased from each of five different manufacturers in the categories of (1) low power Schottsky TTL (bipolar) digital circuits; (2) CMOS digital circuits; (3) operational amplifier linear circuits; and (4) NPN transistors. These parts were subjected to three different initial screening conditions, then to extended life testing, to determine any possible advantages or trends for any particular screen. Several tests were carried out in the areas of flammability testing, humidity testing, high pressure steam (auroclave) testing, and high temperature storage testing. Test results are presented. Procurement and application considerations for use of plastic encapsulated semiconductors are presented and a statistical analysis program written to study the log normal distributions resulting from life testing is concluded.

Source record↗

Developing a control system for ARES 2

A great deal of analysis and testing is conducted at the NASA Langley Research Center to support the development of safe and reliable helicopter rotor systems. This work is performed by the Rotorcraft Aeroelasticity Group located in the Transonic Dynamics Tunnel (TDT) facility. Over the past two decades a wide variety of tests have been successfully conducted in the TDT and their results have contributed significantly to the understanding of aeromechanical phenomena in rotor systems. This has led to improved tools for analysis and design, and ultimately to the development, of improved rotor systems. The TDT facility is ideally suited for these tests due to its unique ability to use a heavy gas as a working medium. This allows the model to be scaled such that the results obtained may be readily extrapolated to full scale. Until recently, the rotor system to be tested has been mounted on a fixed balance which is attached to the longeron which is attached to the stand through a single pitching degree of freedom. The testbed used is known as the Aeroelastic Rotor Experimental System (ARES 1). In order to extend the experimental capabilities to investigate the full rotor/body dynamic coupling present in a rotorcraft, a very ambitious project has been undertaken to design and construct a six degree of freedom system that can be controlled so as to emulate the inertial characteristics of a prescribed model fuselage. The electronic and mechanical hardware for this system has already been designed and constructed. This system is known ar ARES II. The rotor and its drive system are mounted on the balance which is attached to the longeron via six hydraulic actuators. This six degree of freedom parallel linkage is referred to in the literature as a Stuart Platform. By properly adjusting the length of the hydraulic actuators it is possible to position and orient the balance relative to the longeron. The longeron is attached to the stand via a pitch degree of freedom to allow testing over various forward flight regimes. One major task remaining to complete this testbed is the design and synthesis of a control system. To do this properly requires an understanding of the kinematics and dynamics of the system and robust control design. A brief description of the development of a control design is given.

Fitzsimons, Philip M.↗

Optimization-Driven Scenario Grouping

Scenario decomposition algorithms for stochastic programs compute bounds by dualizing all nonanticipativity constraints and solving individual scenario problems independently. Here, we develop an approach that improves on these bounds by reinforcing a carefully chosen subset of nonanticipativity constraints, effectively placing scenarios into groups. Specifically, we formulate an optimization problem for grouping scenarios that aims to improve the bound by optimizing a proxy metric based on information obtained from evaluating a subset of candidate feasible solutions. We show that the proposed grouping problem is NP-hard in general, identify a polynomially solvable case, and present two formulations for solving the problem: a matching formulation for a special case and a mixed-integer programming formulation for the general case. We use the proposed grouping scheme as a preprocessing step for a particular scenario decomposition algorithm and demonstrate its effectiveness in solving standard test instances of two-stage 0–1 stochastic programs. Using this approach, we are able to prove optimality for all previously unsolved instances of a standard test set. Additionally, we implement this scheme as a preprocessing step for PySP, a publicly available and widely used implementation of progressive hedging, and compare this grouping approach with standard grouping approaches on large-scale stochastic unit commitment instances. Finally, the idea is extended to propose a finitely convergent algorithm for two-stage stochastic programs with a finite feasible region.

97 MATHEMATICS AND COMPUTING↗

Landau-Ginzburg orbifolds and symmetries of K 3 CFTs

Recent developments in the study of the moonshine phenomenon, including umbral and Conway moonshine, suggest that it may play an important role in encoding the action of finite symmetry groups on the BPS spectrum of K 3 string theory. To test and clarify these proposed K 3 -moonshine connections, we study Landau-Ginzburg orbifolds that flow to conformal field theories in the moduli space of K 3 sigma models. We compute K 3 elliptic genera twined by discrete symmetries that are manifest in the UV description, though often inaccessible in the IR. We obtain various twining functions coinciding with moonshine predictions that have not been observed in physical theories before. These include twining functions arising from Mathieu moonshine, other cases of umbral moonshine, and Conway moonshine. For instance, all functions arising from M 11 c 2.M 12 moonshine appear as explicit twining genera in the LG models, which moreover admit a uniform description in terms of its natural 12-dimensional representation. Finally, our results provide strong evidence for the relevance of umbral moonshine for K 3 symmetries, as well as new hints for its eventual explanation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Preparation and Characterization of Bionanocomposites Based on Benzylated Wheat Straw and Nanoclay

The main goal of this study was to chemically modify the structure of thermoset-like wheat straw using benzylation reaction, change it to thermoplastic material and clarify the precise role of nanoclay on properties of nanocomposites. Thermoplastic benzylated wheat straw (BWS) nanocomposites prepared via solvent casting. The Fourier transform infrared (FTIR) and Nuclear Magnetic Resonance (NMR) spectra confirmed the substitution of H groups with benzyl groups. X-ray diffractometry (XRD) and scanning electron microscopy (SEM) tests demonstrated good dispersion and intercalation of nanoclay. Thermal studies confirmed the thermoplasticity of the samples, while the addition of up to 5% nanoclay showed the increase in crystallization, T{sub g} and T{sub m}. Nanoclay also can retard thermal decomposition process. The presence of nanoclay improved all mechanical properties except the elongation at break. Nanocomposite with 5% nanoclay showed minimum water absorption and highest hydrophobicity comparing to other samples. This novel bionanocomposite could be a suitable alternative for replacing oil-based plastics in biomembranes and bioseparation processes. Graphical Abstract: .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Effect of proteoglycans at interfaces as related to location, architecture, and mechanical cues

Covalently bound functional GAGs orchestrate tissue mechanics through time-dependent characteristics. The role of specific glycosaminoglycans (GAGs) at the ligament-cementum and cementum-dentin interfaces within a human periodontal complex were examined. Matrix swelling and resistance to compression under health and modeled diseased states was investigated. The presence of keratin sulfate (KS) and chondroitin sulfate (CS) GAGs at the ligament-cementum and cementum-dentin interfaces in human molars (N = 5) was illustrated by using enzymes, atomic force microscopy (AFM), and AFM-based nanoindentation. Furthermore, the change in physical characteristics of modeled diseased states through sequential digestion of keratin sulfate (KS) and chondroitin sulfate (CS) GAGs was investigated. One-way ANOVA tests with P < 0.05 were performed to determine significant differences between groups. Additionally, the presence of mineral within the seemingly hygroscopic interfaces was investigated using transmission electron microscopy. Immunohistochemistry (N = 3) indicated presence of biglycan and fibromodulin small leucine rich proteoglycans at the interfaces. Digestion of matrices with enzymes confirmed the presence of KS and CS GAGs at the interfaces by illustrating a change in ti ssue architecture and mechanics. A significant increase in height (nm), decrease in elastic modulus (GPa), and tissue deformation rate (nm/s) of the PDL-C attachment site (215 ± 63-424 ± 94 nm; 1.5 ± 0.7-0.4 ± 0.2 GPa; 21 ± 7-48 ± 22 nm/s), and cementum-dentin interface (122 ± 69-360 ± 159 nm; 2.9 ± 1.3-0.7 ± 0.3 GPa; 18 ± 4-30 ± 6 nm/s) was observed. The sequential removal of GAGs indicated loss in intricate structural hierarchy of hygroscopic interfaces. From a mechanics perspective, GAGs provide tissue recovery/resilience. Our results provide insights into the role of GAGs toward conserved tooth movement in the socket in response to mechanical loads, and modulation of potentially deleterious strain at tissue interfaces.

59 BASIC BIOLOGICAL SCIENCES↗

SPECT Analysis of Cardiac Perfusion Changes After Whole-Breast/Chest Wall Radiation Therapy With or Without Active Breathing Coordinator: Results of a Randomized Phase 3 Trial

Purpose: Cardiac muscle perfusion, as determined by single-photon emission computed tomography (SPECT), decreases after breast and/or chest wall (BCW) irradiation. The active breathing coordinator (ABC) enables radiation delivery when the BCW is farther from the heart, thereby decreasing cardiac exposure. We hypothesized that ABC would prevent radiation-induced cardiac toxicity and conducted a randomized controlled trial evaluating myocardial perfusion changes after radiation for left-sided breast cancer with or without ABC. Methods and Materials: Stages I to III left breast cancer patients requiring adjuvant radiation therapy (XRT) were randomized to ABC or No-ABC. Myocardial perfusion was evaluated by SPECT scans (before and 6 months after BCW radiation) using 2 methods: (1) fully automated quantitative polar mapping; and (2) semiquantitative visual assessment. The left ventricle was divided into 20 segments for the polar map and 17 segments for the visual method. Segments were grouped by anatomical rings (apical, mid, basal) or by coronary artery distribution. For the visual method, 2 nuclear medicine physicians, blinded to treatment groups, scored each segment's perfusion. Scores were analyzed with nonparametric tests and linear regression. Results: Between 2006 and 2010, 57 patients were enrolled and 43 were available for analysis. The cohorts were well matched. The apical and left anterior descending coronary artery segments had significant decreases in perfusion on SPECT scans in both ABC and No-ABC cohorts. In unadjusted and adjusted analyses, controlling for pretreatment perfusion score, age, and chemotherapy, ABC was not significantly associated with prevention of perfusion deficits. Conclusions: In this randomized controlled trial, ABC does not appear to prevent radiation-induced cardiac perfusion deficits.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Study of 201 Non-Small Cell Lung Cancer Patients Given Stereotactic Ablative Radiation Therapy Shows Local Control Dependence on Dose Calculation Algorithm

Purpose: Pencil beam (PB) and collapsed cone convolution (CCC) dose calculation algorithms differ significantly when used in the thorax. However, such differences have seldom been previously directly correlated with outcomes of lung stereotactic ablative body radiation (SABR). Methods and Materials: Data for 201 non-small cell lung cancer patients treated with SABR were analyzed retrospectively. All patients were treated with 50 Gy in 5 fractions of 10 Gy each. The radiation prescription mandated that 95% of the planning target volume (PTV) receive the prescribed dose. One hundred sixteen patients were planned with BrainLab treatment planning software (TPS) with the PB algorithm and treated on a Novalis unit. The other 85 were planned on the Pinnacle TPS with the CCC algorithm and treated on a Varian linac. Treatment planning objectives were numerically identical for both groups. The median follow-up times were 24 and 17 months for the PB and CCC groups, respectively. The primary endpoint was local/marginal control of the irradiated lesion. Gray's competing risk method was used to determine the statistical differences in local/marginal control rates between the PB and CCC groups. Results: Twenty-five patients planned with PB and 4 patients planned with the CCC algorithms to the same nominal doses experienced local recurrence. There was a statistically significant difference in recurrence rates between the PB and CCC groups (hazard ratio 3.4 [95% confidence interval: 1.18-9.83], Gray's test P=.019). The differences (Δ) between the 2 algorithms for target coverage were as follows: ΔD99{sub GITV} = 7.4 Gy, ΔD99{sub PTV} = 10.4 Gy, ΔV90{sub GITV} = 13.7%, ΔV90{sub PTV} = 37.6%, ΔD95{sub PTV} = 9.8 Gy, and ΔD{sub ISO} = 3.4 Gy. GITV = gross internal tumor volume. Conclusions: Local control in patients receiving who were planned to the same nominal dose with PB and CCC algorithms were statistically significantly different. Possible alternative explanations are described in the report, although they are not thought likely to explain the difference. We conclude that the difference is due to relative dosimetric underdosing of tumors with the PB algorithm.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

High-pressure structural behavior and elastic properties of U3Si5: A combined synchrotron XRD and DFT study

We present an integrated experimental and theoretical study of the structural behavior of U 3 Si 5 at highpressure conditions using angle-dispersive synchrotron X-ray diffraction (XRD) in a diamond anvil cell (DAC) and density functional theory (DFT) calculations. On increasing pressure, the ambient hexagonal structure of U 3 Si 5 with space group P6/mmm remains stable up to 16.7 GPa, the maximum pressure tested with DAC. The bulk modulus and the a- and c-axial moduli of U 3 Si 5 were experimentally determined to be 126 ± 4 GPa, 173 ± 8 GPa and 79.7 ± 4.3 GPa, respectively. Thus an anisotropy in the axial compressibility of U 3 Si 5 is observed with its c-axis being more compressible than the a-axis. Our DFT calculation results are in general agreement with the experimental values, including reproducing the compressibility anisotropy. A comparison of the bulk modulus of U 3 Si 5 to those of other U-Si compounds reveals a general trend that the bulk modulus of U-Si decreases with increasing U/(U+Si) ratio.

36 MATERIALS SCIENCE↗