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

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At least 289 records · Page 16

In vitro dose measurements in a human cadaver with abdomen/pelvis CT scans

Purpose: To present a study of radiation dose measurements with a human cadaver scanned on a clinical CT scanner. Methods: Multiple point dose measurements were obtained with high-accuracy Thimble ionization chambers placed inside the stomach, liver, paravertebral gutter, ascending colon, left kidney, and urinary bladder of a human cadaver (183 cm in height and 67.5 kg in weight) whose abdomen/pelvis region was scanned repeatedly with a multidetector row CT. The flat energy response and precision of the dosimeters were verified, and the slight differences in each dosimeter's response were evaluated and corrected to attain high accuracy. In addition, skin doses were measured for radiosensitive organs outside the scanned region with OSL dosimeters: the right eye, thyroid, both nipples, and the right testicle. Three scan protocols were used, which shared most scan parameters but had different kVp and mA settings: 120-kVp automA, 120-kVp 300 mA, and 100-kVp 300 mA. For each protocol three repeated scans were performed. Results: The tube starting angle (TSA) was found to randomly vary around two major conditions, which caused large fluctuations in the repeated point dose measurements: for the 120-kVp 300 mA protocol this angle changed from approximately 110° to 290°, and caused 8% − 25% difference in the point dose measured at the stomach, liver, colon, and urinary bladder. When the fluctuations of the TSA were small (within 5°), the maximum coefficient of variance was approximately 3.3%. The soft tissue absorbed doses averaged from four locations near the center of the scanned region were 27.2 ± 3.3 and 16.5 ± 2.7 mGy for the 120 and 100-kVp fixed-mA scans, respectively. These values were consistent with the corresponding size specific dose estimates within 4%. The comparison of the per-100-mAs tissue doses from the three protocols revealed that: (1) dose levels at nonsuperficial locations in the TCM scans could not be accurately deduced by simply scaling the fix-mA doses with local mA values; (2) the general power law relationship between dose and kVp varied from location to location, with the power index ranged between 2.7 and 3.5. The averaged dose measurements at both nipples, which were about 0.6 cm outside the prescribed scan region, ranged from 23 to 27 mGy at the left nipple, and varied from 3 to 20 mGy at the right nipple over the three scan protocols. Large fluctuations over repeated scans were also observed, as a combined result of helical scans of large pitch (1.375) and small active areas of the skin dosimeters. In addition, the averaged skin dose fell off drastically with the distance to the nearest boundary of the scanned region. Conclusions: This study revealed the complexity of CT dose fluctuation and variation with a human cadaver.

60 APPLIED LIFE SCIENCES↗

Machine learning magnetism classifiers from atomic coordinates

The determination of magnetic structure poses a long-standing challenge in condensed matter physics and materials science. Experimental techniques such as neutron diffraction are resource-limited and require complex structure refinement protocols, while computational approaches such as first-principles density functional theory (DFT) need additional semi-empirical correction, and reliable prediction is still largely limited to collinear magnetism. Here, we present a machine learning model that aims to classify the magnetic structure by inputting atomic coordinates containing transition metal and rare earth elements. By building a Euclidean equivariant neural network that preserves the crystallographic symmetry, the magnetic structure (ferromagnetic, antiferromagnetic, and nonmagnetic) and magnetic propagation vector (zero or non-zero) can be predicted with an average accuracy of 77.8% and 73.6%. In particular, a 91% accuracy is reached when predicting no magnetic ordering even if the structure contains magneticelement(s). Ourworkrepresents onestepforwardtosolvingthegrand challenge of full magnetic structure determination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

I/O performance studies of analysis workloads on production and dedicated resources at CERN

The recent evolutions of the analysis frameworks and physics data formats of the LHC experiments provide the opportunity of using central analysis facilities with a strong focus on interactivity and short turnaround times, to complement the more common distributed analysis on the Grid. In order to plan for such facilities, it is essential to know in detail the performance of the combination of a given analysis framework, of a specific analysis and of the installed computing and storage resources. This contribution describes performance studies performed at CERN, using the EOS disk-based storage, either directly or through an XCache instance, from both batch resources and highperformance compute nodes which could be used to build an analysis facility. A variety of benchmarks, both synthetic and based on real-world physics analyses and their corresponding input datasets, are utilized. In particular, the RNTuple format from the ROOT project is put to the test and compared to the latest version of the TTree format, and the impact of caches is assessed. In addition, we assessed the difference in performance between the use of storage system specific protocols, like XRootd, and FUSE. The results of this study are intended to be a valuable input in the design of analysis facilities, at CERN and elsewhere.

Sciabà, Andrea↗

SU-E-J-69: Evaluation of the Lens Dose On the Cone Beam IGRT Procedures

Purpose: With the establishment of the IGRT as a standard technique, the extra dose that is given to the patients should be taken into account. Furthermore, it has been a recent decrease of the dose threshold in the lens, reduced to 0.5 Gy (ICRP ref 4825-3093-1464 on 21st April, 2011).The purpose of this work was to evaluate the extra dose that the lens is receive due to the Cone-Beam (CBCT) location systems in Head-and-Neck treatments. Methods: The On-Board Imaging (OBI) v 1.5 of the two Varian accelerators, one Clinac iX and one True Beam, were used to obtain the dose that this OBI version give to the lens in the Head-and-Neck location treatments. All CBCT scans were acquired with the Standard Dose Head protocol (100 kVp, 80 mA, 8 ms and 200 degree of rotation).The measurements were taken with thermoluminescence (TLD) EXTRAD (Harshaw) dosimeters placed in an anthropomorphic phantom over the eye and under 3 mm of bolus material to mimic the lens position. The center of the head was placed at the isocenter. To reduce TLD energy dependence, they were calibrated at the used beam quality. Results: The average lens dose at the lens in the OBI v 1.5 systems of the Clinac iX and the True Beam is 0.071 and 0.076 cGy/CBCT, respectively. Conclusions: The extra absorbed doses that receive the eye lenses due to one CBCT acquisition with the studied protocol is far below the new ICRP recommended threshold for the lens. However, the addition effect of several CBCT acquisition during the whole treatment should be taken into account.

61 RADIATION PROTECTION AND DOSIMETRY↗

Effects of CT-based attenuation correction of rat microSPECT images on relative myocardial perfusion and quantitative tracer uptake

Purpose: Our goal in this work was to investigate the impact of CT-based attenuation correction on measurements of rat myocardial perfusion with {sup 99m}Tc and {sup 201}Tl single photon emission computed tomography (SPECT). Methods: Eight male Sprague-Dawley rats were injected with {sup 99m}Tc-tetrofosmin and scanned in a small animal pinhole SPECT/CT scanner. Scans were repeated weekly over a period of 5 weeks. Eight additional rats were injected with {sup 201}Tl and also scanned following a similar protocol. The images were reconstructed with and without attenuation correction, and the relative perfusion was analyzed with the commercial cardiac analysis software. The absolute uptake of {sup 99m}Tc in the heart was also quantified with and without attenuation correction. Results: For {sup 99m}Tc imaging, relative segmental perfusion changed by up to +2.1%/−1.8% as a result of attenuation correction. Relative changes of +3.6%/−1.0% were observed for the {sup 201}Tl images. Interscan and inter-rat reproducibilities of relative segmental perfusion were 2.7% and 3.9%, respectively, for the uncorrected {sup 99m}Tc scans, and 3.6% and 4.3%, respectively, for the {sup 201}Tl scans, and were not significantly affected by attenuation correction for either tracer. Attenuation correction also significantly increased the measured absolute uptake of tetrofosmin and significantly altered the relationship between the rat weight and tracer uptake. Conclusions: Our results show that attenuation correction has a small but statistically significant impact on the relative perfusion measurements in some segments of the heart and does not adversely affect reproducibility. Attenuation correction had a small but statistically significant impact on measured absolute tracer uptake.

60 APPLIED LIFE SCIENCES↗

Commercial Building Energy Asset Score System: Program Overview and Technical Protocol (Version 1.0)

The U.S. Department of Energy (DOE) is developing a national voluntary energy asset score system that includes an energy asset score tool to help building owners evaluate their buildings with respect to the score system. The goal of the energy asset score system is to facilitate cost-effective investment in energy efficiency improvements of commercial buildings. The system will allow building owners and managers to compare their building infrastructure against peers and track building upgrade progress over time. The system can also help other building stakeholders (e.g., building operators, tenants, financiers, and appraisers) understand the relative efficiency of different buildings in a way that is independent from their operations and occupancy. This report outlines the technical protocol used to generate the energy asset score, explains the scoring methodology, and provides additional details regarding the energy asset score tool. This report also describes alternative methods that were considered prior to developing the current approach. Finally, this report describes a few features of the program where alternative approaches are still under evaluation.

building energy use↗

Enhancement of operational Flexibility of Power Plants Using IN740

Headers are crucial components within diverse industries, especially in the energy sector, as they enable the efficient transfer of fluids. The selection of materials for headers is determined by their specific applications; for example, Grade 91 and Grade 92 steels are commonly utilized. In our research, we recommend the adoption of INCONEL alloy 740 due to its exceptional robustness and heat-resistant characteristics. One critical parameter in header systems is the heat transfer coefficient, which directly influences the efficiency of heat exchange processes and can thereby impact the structural integrity of the headers. This coefficient is closely linked with factors such as the Nusselt number, which is influenced by fluid flow characteristics and thermal properties. The flow direction within headers, whether unidirectional or multidirectional—significantly affects the overall dynamics of heat transfer. This research focuses on exploring the behavior of headers, a specific pipeline system component, using ANSYS simulation software. The study aims to predict heat transfer and mechanical behavior within headers under various conditions through steady-state and transient simulations (parts 1 and 2 of the report). Key parameters such as heat transfer coefficient, velocity, and temperature are examined with the goal of optimizing header design. Part 3 of the report addresses the critical yet underexplored relationship between pressure drop and heat transfer coefficients in the transient flow regime within headers, specifically focusing on smooth horizontal circular tubes. Limited experimental work has been conducted in this area, prompting the need for comprehensive analysis. By leveraging machine learning techniques, this research aims to establish a correlation between pressure drop and heat transfer across various flow conditions, including laminar, transient, quasi-turbulent, and turbulent regimes. The data utilized for this analysis were meticulously gathered from existing literature, capturing simultaneous measurements of pressure drops and heat transfer. Part 4: In the context of power plants, header pipes are essential components that significantly influence system performance by facilitating the collection and distribution of steam. This report highlights the critical role of header pipes in enhancing reliability, efficiency, and overall power plant performance. A key aspect of this investigation is shape optimization, which aims to maximize performance while minimizing material usage. By focusing on shape optimization, this research contributes to improved efficiency and a reduced environmental footprint for power plant installations. The methodology developed in this study emphasizes optimizing header shapes to decrease reliance on expensive alloy materials and lower maintenance costs. Furthermore, a case study was conducted using a header from an operational power plant to validate the proposed optimization techniques. Finally, part 5 addresses the challenges associated with flexible operations in boiler systems, the study outlines several strategies for enhancing the durability and reliability of steam headers. Key approaches include material selection, which involves utilizing advanced materials with superior high-temperature properties and enhanced fatigue resistance to extend the lifespan of steam headers. Design modifications are also recommended, focusing on implementing changes that mitigate thermal stress and cyclic loading to reduce the likelihood of failures under varying operating conditions. Additionally, the study emphasizes the importance of regular inspection and monitoring by establishing rigorous protocols to detect early signs of damage, allowing for timely maintenance and minimizing the risks of catastrophic failures. Furthermore, operational guidelines are developed to minimize the frequency and severity of thermal transients, ensuring stable and efficient operations. Collectively, these strategies provide a robust framework for overcoming the unique challenges posed by flexible operation in boiler systems, ultimately contributing to improved reliability and performance in power plant operations. Through this comprehensive approach, the study not only enhances the understanding of pressure drop and heat transfer relationships but also promotes advancements in design and operation that will benefit the entire power generation industry.

01 COAL, LIGNITE, AND PEAT↗

A Modern Ethernet Data Acquisition Architecture for Fermilab Beam Instrumentation

The Fermilab Accelerator Division, Instrumentation Department is adopting an open-source framework to replace our embedded VME-based data acquisition systems. Utilizing an iterative methodology, we first moved to embedded Linux, removing the need for VxWorks. Next, we adopted Ethernet on each data acquisition module eliminating the need for the VME backplane in addition to communicating with a rack mount server. Development of DDCP (Distributed Data Communications Protocol), allowed for an abstraction between the firmware and software layers. Each data acquisition module was adapted to read out using 1 GbE and aggregated at a switch which up linked to a 10 GbE network. Current development includes scaling the system to aggregate more modules, to increase bandwidth to support multiple systems and to adopt MicroTCA as a crate technology. The architecture was utilized on various beamlines around the Fermilab complex including PIP2IT, FAST/IOTA and the Muon Delivery Ring. In summary, we were able to develop a data acquisition framework which incrementally replaces VxWorks & VME hardware as well as increases our total bandwidth to 10 Gbit/s using off the shelf Ethernet technology.

43 PARTICLE ACCELERATORS↗

Error and Correction Analysis for the FFA@CEBAF Energy Upgrade

An energy upgrade design for the Continuous Electron Beam Accelerator Facility (CEBAF) is under development, using fixed field alternating gradient (FFA) return arcs to recirculate electron beam up to an additional five times through the accelerating structures at CEBAF. A necessary component of any large accelerator is a beam steering and optical correction system. Small environmental changes and system errors can lower beam quality or even shut down the machine; and in pursuit of the scientific mission of JLab, high quality electron beams must be delivered to the experimental halls on a predictable schedule. Correction in the novel FFA arcs of the current upgrade design is complicated by several factors. These complexities inform the choice of correction algorithm structure and parameter values. A baseline algorithm in addition to diagnostic and correction hardware configuration is presented. The effect of this correction protocol is shown with respect to estimated errors, and several possible extensions of the algorithm are discussed. This work presents an important proof of concept for the FFA@CEBAF design effort, and provides a functional correction strategy which may be simply adjusted and optimized for future design changes.

Coxe, Alex [Old Dominion Univ., Norfolk, VA (Unite↗

Remediation Guidance for Major Airports after a Bioterrorist Attack

This document provides general guidelines for airport managers, local officials, and other stakeholders for developing a response and recovery plan for a major airport following the release of a biological warfare agent, with specific guidance for remediation. San Francisco International Airport was selected as the example airport during development of the guidance to illustrate specific details. The spore-forming bacterium Bacillus anthracis was selected as the biological agent of primary concern because it is the most difficult of known bioterrorism agents to inactivate and is considered to be one of the agents most likely to be used as a biological weapon. The focus of the guidance is on cleanup and disposal activities associated with the Characterization, Decontamination, and Clearance Phases that are defined herein. Activities associated with the Notification and First-Response Phases are brieÀy discussed in Appendixes A and B, respectively. In addition to the main text of this Remediation Guidance document and associated appendixes, a data supplement was developed specifically for San Francisco International Airport. Requests for the data supplement must be made directly to the Emergency Planning Operations Division of San Francisco International Airport. This document does not describe public health responses to release of a biological warfare agent. If laboratory analytical results confirm the presence of a biological agent, the responsible public health agency involved in the response will commence appropriate public health actions, such as treatment (CDC 2004) and decontamination of potentially contaminated individuals, distribution of prophylaxis, and medical examinations. See the Centers for Disease Control and Prevention web site for more information on emergency public health responses (http://www.bt.cdc.gov/). Effective communication with the media and the public is an essential component of airport remediation and recovery. Whereas such communication is beyond the scope of this document, many helpful resources are available. (See Section 1.1 for more information.) The concept of operations described in this document for cleanup of a Bacillus anthracis release at a major airport conforms to the National Response Framework (NRF) (DHS 2008) and implementation of the National Incident Management System (NIMS 2004). In most cases, a Unified Command would be formed to direct the cleanup process jointly and to take ultimate responsibility for all cleanup decisions. The Unified Command would likely include the Airport Manager or Airport Emergency Operations Manager, representatives from state and local public health and emergency management agencies, and Federal agencies, such as the U.S. Environmental Protection Agency. The Unified Command and Incident Command Staff would ideally be co-located in an Incident Command Post in an uncontaminated area of the airport. If a release is large or complex, co-location of all key players may not be possible. If a major incident is declared, a Principal Federal Official may be appointed by the Department of Homeland Security to facilitate Federal support to the Unified Command. In some facilities and jurisdictions, additional response plans or procedures (such as BioWatch or other emergency response plans, procedures, or protocols) may govern notification and first response. Facility personnel, responders, and emergency management coordinators should be aware of all applicable plans and procedures and how to implement them. Cleanups following the anthrax attacks of 2001 in the U.S. pre-dated the NRF and NIMS and did not make use of a NIMS Incident Command System as we know it today. Most Incident Commanders for the larger of those cleanups chose to convene a Technical Working Group (TWG) of multi-agency, multi-disciplinary, outside experts to advise in developing sampling and decontamination plans. Most of the Incident Commanders also convened a separate Environmental Clearance Committee (ECC) to independently review pre- and post decontamination sampling data as well as data on decontamination parameters, to evaluate whether the decontamination was effective, and to add credibility regarding a decision that decontaminated areas may be reoccupied. Use of such specialized technical expertise is strongly recommended, although it would now operate within the construct of the NIMS Incident Command System. The TWG, if convened, would act in an advisory capacity to the Environmental Unit within the Planning Section. Likewise, the ECC, if convened, would provide independent peer review of products and recommendations by the Environmental Unit. For maximum impartiality, the ECC could also provide recommendations directly to the Unified Command. Cleanup activities commence with site characterization. The principal goal of characterization is to define the extent of contamination and to gather information needed to design the decontamination approach. Initial sampling data collected by first responders are assessed to approximate the location(s) of contamination. Confirmation of the agent type and viability is obtained from a Laboratory Response Network laboratory. Additional characterization data are collected to determine the extent of contamination and where decontamination actions are needed. Areas suspected of being contaminated are contained and isolated to the degree possible to prevent further movement of an agent to uncontaminated areas or the environment, and to reduce the potential for future exposure from the agent or fumigant, if fumigation is needed. Agent air monitoring in areas adjacent to the contained contamination zones is done to ensure the protection of remediation personnel and to monitor any release from the contained zones. Various sampling approaches are considered. For example, wipe samples can be used to sample hard, nonporous surfaces. Swab samples can be used to sample nooks, crannies, joints, and seams. Appendix I is a template for preparing an incident-specific, operational characterization plan. Upon completion of the characterization plan, an internal review is initiated. Upon approval of the plan by the Unified Command, characterization commences. The Site Safety Officer develops a Health and Safety Plan to ensure that coordinated health and safety measures are in place for all responding personnel. This plan describes physical, chemical, and biological hazards at the site, personal protective equipment, personal decontamination procedures, and emergency procedures to be used by sampling and remediation personnel. An incident-specific Remediation Action Plan is developed, which describes the decontamination methods to be used and other details, including waste disposal. Under NIMS, this overall plan, as well as other plans described below, are implemented through a series of standardized, shorter-term Incident Action Plans, which describe specific activities that will take place during a shift or a day. The template in Appendix J is designed to facilitate preparation of the Remediation Action Plan. If fumigation will be done, a Sampling and Analysis Plan will be needed, as well as an Ambient Air Monitoring Plan, which can be a component of the Remediation Action Plan. These three plans are needed to obtain a crisis exemption from the U.S. Environmental Protection Agency for authorized use of an unregistered sterilant or pesticide during cleanup. If pesticide products become registered for inactivation of B. anthracis in the future, the three plans will likely be required by the product’s labeling, but the plans would no longer be submitted to the U.S. Environmental Protection Agency for approval; rather, the Incident Commander would approve them. If fumigation is used, an Emergency Response Plan is also recommended, although such a plan is not required for a crisis exemption. For some nonpersistent biological warfare agents, natural attenuation may be an adequate decontamination option. In cases where contamination is not extensive or an agent is not persistent, application of surface decontaminants or other methods of medical infection control may be effective. For extensive contamination by persistent agents, such as Bacillus anthracis, fumigation may be necessary. In those cases, the Decontamination Phase commences with source reduction, such as pre-cleaning surfaces to reduce the contaminant load. To expedite cleanup and prevent costs from escalating unnecessarily, a cost–benefit analysis should be incorporated in the decision process related to retention versus disposal of facility items and materials. Certain materials and structural components can be decontaminated for reuse, but it may not be feasible or cost-effective to decontaminate other items. Those items must be pre-treated, packaged (with the package decontaminated externally), and removed for disposal as waste. Site preparation includes sealing openings to prevent leaks and setting up equipment. Decontamination reagents and delivery systems are selected, and pre-testing all systems is done before carrying out chemical treatment(s). The important choice of decontamination technologies depends on characteristics of the agent, the nature and extent of contamination, and other site parameters identified during characterization. Decontamination-related decisions can have a major impact on waste-disposal costs, and it is necessary to develop a disposal plan that identifies a means of disposal, necessary approvals, transportation, and other details. A clearance strategy is developed to ensure that after decontamination, the risk of exposure to residual contamination is negligible. A clearance sampling plan is developed, which sets clearance criteria, specifies how to determine whether the criteria have been met, and describes how and where to collect clearance samples after decontamination. In most cases, clearance sampling includes both surface and aggressive air samples. Appendix K is a clearance plan template that identifies the types of required information. To determine whether the decontaminated area may be reoccupied, the Environmental Unit (and the ECC separately, if one is convened) evaluates the results of clearance samples. For the anthrax incidents to date, and given methods that have been used, cleanup was considered successful only when there was no growth of B. anthracis cultured from any environmental samples taken after decontamination. Other factors that will be considered include the decontamination process parameters (e.g., temperature, relative humidity, decontaminant concentration, and contact time) and the results from post-decontamination culture of biological indicators that may have been used during fumigation or sterilization processes. From such an evaluation the Environmental Unit or ECC, or both, recommend whether the area may be reoccupied, or whether further decontamination is necessary. The UC makes the final decision that a facility is appropriately decontaminated for reoccupancy. The facility owner or responsible public health agency makes the final decision to reopen a decontaminated facility. A theme that is emphasized throughout this document is that many activities can greatly reduce the time required to restore airport operations if those activities are conducted prior to an actual release of biological warfare agent. A summary of specific resources (such as Federal, state, and local agency contacts; contractors; prospective team members; subject-matter experts; laboratory facilities; and other entities) that should be identified in advance by airport officials is provided in each pertinent section of this document, and summary contact lists of such resources are provided in Appendix L. A summary of overall pre-planning actions that should be completed by airport officials is presented at the end of this document.

59 BASIC BIOLOGICAL SCIENCES↗

Faster Randomized Dynamical Decoupling

We present a randomized dynamical decoupling (DD) protocol that can substantially improve the performance of any given deterministic DD scheme for suppressing coherent noise by using no more than two additional pulses. Our construction is implemented by probabilistically applying sequences of pulses, which, when combined, effectively eliminate the error terms that scale linearly with the system-environment coupling strength. As a result, we show that a randomized protocol using a few pulses can outperform deterministic DD protocols that require considerably more pulses. Furthermore, we prove that the randomized protocol provides an improvement compared to deterministic DD sequences that aim to reduce the error in the system’s Hilbert space, such as Uhrig DD, which had been previously regarded to be optimal. To rigorously evaluate the performance, we introduce new analytical methods suitable for analyzing higher-order DD protocols that might be of independent interest. Here, we also present numerical simulations confirming the significant advantage of using randomized protocols compared to widely used deterministic protocols.

Quantum algorithms & computation↗

CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field

Explicit treatment of electronic polarizability in empirical force fields (FFs) represents an extension over a traditional additive or pairwise FF and provides a more realistic model of the variations in electronic structure in condensed phase, macromolecular simulations. To facilitate utilization of the polarizable FF based on the classical Drude oscillator model, Drude Prepper has been developed in CHARMM-GUI. Drude Prepper ingests additive CHARMM protein structures file (PSF) and pre-equilibrated coordinates in CHARMM, PDB, or NAMD format, from which the molecular components of the system are identified. These include all residues and patches connecting those residues along with water, ions, and other solute molecules. This information is then used to construct the Drude FF-based PSF using molecular generation capabilities in CHARMM, followed by minimization and equilibration. In addition, inputs are generated for molecular dynamics (MD) simulations using CHARMM, GROMACS, NAMD, and OpenMM. Validation of the Drude Prepper protocol and inputs is performed through conversion and MD simulations of various heterogeneous systems that include proteins, nucleic acids, lipids, polysaccharides, and atomic ions using the aforementioned simulation packages. Stable simulations are obtained in all studied systems, including 5 μs simulation of ubiquitin, verifying the integrity of the generated Drude PSFs. Additionally, the ability of the Drude FF to model variations in electronic structure is shown through dipole moment analysis in selected systems. Finally, the capabilities and availability of Drude Prepper in CHARMM-GUI is anticipated to greatly facilitate the application of the Drude FF to a range of condensed phase, macromolecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Protocol for Uniformly Measuring and Expressing the Performance of Energy Storage Systems

The Protocol for Uniformly Measuring and Expressing the Performance of Energy Storage Systems (PNNL-22010) was first issued in November 2012 as a first step toward providing a foundational basis for developing an initial standard for the uniform measurement and expression of energy storage system (ESS) performance. Based on experiences with the application and use of that document, and to include additional ESS applications and associated duty cycles, test procedures and performance metrics, a first revision of the November 2012 Protocol was issued in June 2014 (PNNL 22010 Rev. 1). As an update of the 2014 revision 1 to the Protocol, this document (the March 2016 revision 2 to the Protocol) is intended to supersede the June 2014 revision 1 to the Protocol and provide a more user-friendly yet more robust and comprehensive basis for measuring and expressing ESS performance.

25 ENERGY STORAGE↗

Development of a Micro-Computed Tomography-Based Image-Guided Conformal Radiotherapy System for Small Animals

Purpose: To report on the physical aspects of a system in which radiotherapy functionality was added to a micro-computed tomography (microCT) scanner, to evaluate the accuracy of this instrument, and to and demonstrate the application of this technology for irradiating tumors growing within the lungs of mice. Methods and Materials: A GE eXplore RS120 microCT scanner was modified by the addition of a two-dimensional subject translation stage and a variable aperture collimator. Quality assurance protocols for these devices, including measurement of translation stage positioning accuracy, collimator aperture accuracy, and collimator alignment with the X-ray beam, were devised. Use of this system for image-guided radiotherapy was assessed by irradiation of a solid water phantom as well as of two mice bearing spontaneous MYC-induced lung tumors. Radiation damage was assessed ex vivo by immunohistochemical detection of {gamma}H2AX foci. Results: The positioning error of the translation stage was found to be <0.05 mm, whereas after alignment of the collimator with the X-ray axis through adjustment of its displacement and rotation, the collimator aperture error was <0.1 mm measured at isocenter. Computed tomography image-guided treatment of a solid water phantom demonstrated target localization accuracy to within 0.1 mm. Gamma-H2AX foci were detected within irradiated lung tumors in mice, with contralateral lung tissue displaying background staining. Conclusions: Addition of radiotherapy functionality to a microCT scanner is an effective means of introducing image-guided radiation treatments into the preclinical setting. This approach has been shown to facilitate small-animal conformal radiotherapy while leveraging existing technology.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Integration of sensors through additive manufacturing leading to increased efficiencies of gas turbines for power generation and propulsion

To realize the full capability of additively manufactured components in complex energy systems, it is imperative to minimize early component failures during development phases and during operation. Traditional field feedback timelines and offline inspection protocols significantly reduce the design-manufacturing iteration times. To address this specific question, the project developed and demonstrated a method for the integration of sensors into complex components through additive manufacturing. The team used gas turbine engines as a platform, which meets the need of both power generation and propulsion and offer opportunities for cost reductions and efficiency increases. The innovation of this intelligent integration of sensors into complex components uniquely customized to address questions of integrity and durability for additively manufactured components. With real-time sensing data from additively manufactured components, turbine manufacturers will realize higher efficiencies, reduced component failures, and a 30-50% acceleration in product deployment of high efficiency gas turbine components due to a faster reduction in component risk assessment under actual operating conditions. This is a transformative shift towards a data-driven design and qualification of additively manufactured gas turbine components. To directly integrate sensors into additively manufactured components with all the complexities of actual hardware, powder bed fusion (direct metal laser sintering) and laser metal deposition technologies was developed. Validation took take place in two university laboratories both of which contain actual engine hardware and closely simulate a gas turbine prior to demonstrating the technology in a turbine development test. Indeed, two major technologies from this research cold impact turbine systems in the near future: (1) higher efficiency materials and designs enabled by additive manufacturing with 50% faster design to manufacturing cycle time, to enable faster time-to-market targets; and (2) integration of sensors into additively manufactured components enabling broad health and condition based prognostics for faster component and engine risk reduction.

33 ADVANCED PROPULSION SYSTEMS↗

Phase 1/2 Study of the Addition of Cisplatin to Adjuvant Chemotherapy With Image Guided High-Precision Radiation Therapy for Completely Resected Gastric Cancer

Purpose: Locoregional recurrence is common after surgery for gastric cancer. Adjuvant therapy improves outcomes but with toxicity. This phase 1/2 study investigated infusional 5-fluorouracil (5-FU) in combination with biweekly cisplatin delivered concurrently with image guided high-precision radiation therapy. Methods and Materials: Eligible patients had completely resected stage IB to IV (Union for International Cancer Control TNM 6th edition) nonmetastatic gastric adenocarcinoma. Treatment constituted 12 weeks of infusional 5-FU (200 mg/m{sup 2}/day) with cisplatin added in a standard 3 + 3 dose escalation protocol (0, 20, 30, and 40 mg/m{sup 2}) during weeks 1, 3, 5, and 7, and an additional week 9 dose in the final cohort. Radiation therapy (45 Gy in 25 fractions) was delivered during weeks 3 to 7. Maximum tolerated dose (MTD) was determined in phase 1 and confirmed in phase 2. Results: Among the 55 patients (median age, 54 years; range 28-77 years; 55% male), the median follow-up time was 3.0 years (range, 0.3-5.3 years). Five patients in phase 1 experienced dose-limiting toxicity, and MTD was determined as 4 cycles of 40 mg/m{sup 2} cisplatin. Twenty-seven patients were treated at MTD. Acute grade 3 to 4 toxicity rate was 37.0% at MTD and 29.1% across all dose levels. No treatment-related deaths occurred. Fourteen patients experienced recurrent disease. The 2-year overall survival (OS) and relapse-free survival were 85% and 74%, respectively. Median OS has not been reached. Quality of life (QOL) was impaired during treatment, but most scores recovered by 4 weeks. Conclusion: Cisplatin can be safely delivered with 5-FU–based chemoradiation therapy. Acute toxicity was acceptable, and patient-reported QOL showed the regimen was tolerable. Outcomes are encouraging and justify further study of this regimen.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Plant Growth Study: Growth of Three Plant Species in 100-OL-1 Operable Unit Soils

Soil contamination from historical application of lead arsenate pesticides persists in the 100-OL-1 Operable Unit (OU) of the U.S. Department of Energy’s Hanford Site in Benton County, Washington. A remedial investigation used a portable X-ray fluorescence analyzer to estimate and map the concentrations of metals in surface soil in the 133 decision units comprising the OU. There is variability in lead and arsenic concentrations among the non-contiguous decision units, and an incomplete understanding of the ecological and human risks from soil contamination. While general screening criteria for lead are reported in literature, limited information is available on the impacts of heavy metals on site-specific plant and animal life. To address this information gap, a study on plant growth in Hanford soils was conducted using native bluegrass (Poa secunda), invasive cheatgrass (Bromus tectorum), and buttercrunch lettuce (Lactuca sativa). The latter is included because it is a common species used in plant growth studies. Soil samples were collected from a single general location within the 100-OL-1 OU, prepared, and categorized as having low, medium, or high concentrations of lead and arsenic, with the high concentration soil having concentrations of up to 3,400 and 790 mg/kg lead and arsenic, respectively. Additionally, a synthetic soil was prepared and used as a control, in accordance with standard plant growth protocols. Fifty-four seeds of each plant species were planted in each of the four soil types following the procedure outlined by the Washington State Department of Ecology. Germination rates and biomass measurements were recorded for 20 days. Both bluegrass and lettuce germination rates appeared to be reduced at the highest lead and arsenic concentrations (Pb: 3400 mg/kg, As: 790 mg/kg), while cheatgrass germination rates were unaffected. Total biomass for all species appeared to be related to the relative concentrations of lead and arsenic in the soil. Results of this growth study agree reasonably well with previous Hanford Site plant growth studies and provide additional data for assessing ecological risk at the Hanford Site.

54 ENVIRONMENTAL SCIENCES↗

Approaches for a quantum memory at telecommunication wavelengths

We report experimental storage and retrieval of weak coherent states of light at telecommunication wavelengths using erbium ions doped into a solid. We use two photon-echo-based quantum storage protocols. The first one is based on controlled reversible inhomogeneous broadening (CRIB). It allows the retrieval of the light on demand by controlling the collective atomic coherence with an external electric field, via the linear Stark effect. We study how atoms in the excited state affect the signal-to-noise ratio of the CRIB memory. Additionally we show how CRIB can be used to modify the temporal width of the retrieved light pulse. The second protocol is based on atomic frequency combs. Using this protocol we verify that the reversible mapping is phase preserving by performing an interference experiment with a local oscillator. These measurements are enabling steps toward solid-state quantum memories at telecommunication wavelengths. We also give an outlook on possible improvements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗