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At least 1,207 records · Page 67

Asynchronous Transfer Mode Quality-of-Service Testing

In support of satellite-ATM interoperability, researchers at the NASA Lewis Research Center performed asynchronous transfer mode (ATM) quality-of-service experiments using MPEG-2 (ATM application layer 5, AAL5) over ATM over an emulated satellite link. The purpose of these experiments was to determine the free-space link quality necessary to use the ATM protocol to transmit high-quality multimedia information. The experimental results have been submitted to various International Telecommunications Union (ITU) study groups in order to improve and modify current standards and recommendations for the telecommunications industry. Quality-of-service parameters for Class I, stringent class requirements for ITU-T I.356 are currently being debated. The experimental results presented will help to establish these quality-of-service thresholds. This material will also be useful in the development of the ITU-R WP-4B's Draft Preliminary New Recommendation on the Transmission of Asynchronous Transfer Mode Traffic via Satellite (Rec. S.atm).

Ivancic, William D.↗

SpaceVPX Interoperability Assessment

The existing VMEbus (VersaModular Eurocard bus) International Trade Association (VITA)-78 industry standard, also known as SpaceVPX, is an avionics board- and chassis-level standard derived from the OpenVPX standard as defined in VITA-65. While VITA-65 defines backplane and board-level profiles from COTS vendors to ensure interoperability of products used in developing systems and subsystems, the VITA-78 standard defines SpaceVPX to incorporate fault tolerance features that are required by many spaceflight systems. However, VITA-78 allows so much flexibility that interoperability between modules cannot be assured. This assessment provides guidelines on the use of, and extensions to, the VITA-78 standard to enable avionics interoperability for future NASA missions. The assessment team was comprised of subject matter experts (SMEs) from Goddard Space Flight Center (GSFC), the Jet Propulsion Laboratory (JPL), Johnson Space Center (JSC), and Langley Research Center (LaRC). The team included valuable external consulting support from a SME who was a key participant in the development of the VITA-78 standard. The team had extensive collaboration with the NASA Space Technology Mission Directorate (STMD) High Performance Spaceflight Computing (HPSC) project, specifically in the development of SpaceVPX interconnect findings, observations, and NESC recommendations. To provide an understanding of the breadth of implementations that SpaceVPX must accommodate, multiple NASA use cases were analyzed to assess the requirements for SpaceVPX implementations across a wide range of NASA missions (Appendix C). Applications included crewed missions, science missions, and orbital and surface robotic systems. Product surveys were conducted to assess the level of industry support for SpaceVPX, applications, and the variations in their implementations (Appendix D). In-depth analysis was conducted in the areas of: (a) power management and distribution, (b) form factors and daughtercards, (c) interconnect, and (d) fault tolerance. Leveraging the use cases, product surveys, and SMEs from multiple NASA Centers, these areas were analyzed to determine the range of implementations permitted by the VITA-78 standard and potential interoperability issues. Applicable findings and NESC recommendations were provided for each area. During this assessment, there were multiple opportunities to engage with other agencies to learn about their interest in SpaceVPX, their strategies for implementing SpaceVPX-based systems, and their internal development efforts. These engagements also generated findings and NESC recommendations. Based on this assessment analysis, NESC recommendations were made regarding the feature set and module profiles to support NASA SpaceVPX implementations. This feature set includes restrictions on features in VITA-78, and extensions to the standard. Key recommendations in this area include the use of 10 Gigabit Ethernet and Peripheral Component Interconnect Express (PCIe) as high bandwidth interconnect on the backplane, the retention of SpaceWire interconnect for control functions, and support for 3U (unit) and 6U, form factors for NASA systems. Restrictions were proposed on the usage of user-defined signals to promote interoperability, and specific power managements and distribution schemes for 3U systems. Beyond the technical implementation of SpaceVPX, recommendations were made on areas that warrant further investigation. Primary among these is the recommendation for NASA to collaborate with other space-going agencies and industry to incorporate recommendations into a future ‘dot spec’ of VITA-78. This would ensure wide adoption and availability of the modules that comply with the specification. The assessment includes appendices with candidate module profiles that can be considered as a starting point for this activity, and example systems based on the recommendations. Follow-on studies are recommended for architectures beyond SpaceVPX to address potential enhancements including condensed set of interconnect, software required to implement protocol layers on the interconnect (and other features), alternative power architectures, and system-level testability.

SpaceVPX↗

An Evaluation of Representation Learning Methods in Particle Physics Foundation Models

We present a systematic evaluation of representation learning objectives for particle physics within a unified framework. Our study employs a shared transformer-based particle-cloud encoder with standardized preprocessing, matched sampling, and a consistent evaluation protocol on a jet classification dataset. We compare contrastive (supervised and self-supervised), masked particle modeling, and generative reconstruction objectives under a common training regimen. In addition, we introduce targeted supervised architectural modifications that achieve state-of-the-art performance on benchmark evaluations. This controlled comparison isolates the contributions of the learning objective, highlights their respective strengths and limitations, and provides reproducible baselines. We position this work as a reference point for the future development of foundation models in particle physics, enabling more transparent and robust progress across the community.

Chen, Michael [Caltech]↗

A comprehensive techno-eco-assessment of CO 2 enhanced oil recovery projects using a machine-learning assisted workflow

Carbon dioxide enhanced oil recovery (CO 2 -EOR) projects not only extract residual oil but also sequestrate CO 2 in the depleted reservoirs. Here, this study develops a machine-learning-based workflow to co-optimize the hydrocarbon recovery, CO 2 sequestration volume and project net present value (NPV) simultaneously. Considering the trade-off relationships among the objective functions, support vector regression with Gaussian kernel (Gaussian- SVR) proxies are coupled with multi-objective particle swarm optimization (PSO) protocol and generate Pareto optimal solutions. Taking advantage of the high computational efficacy of the proxy model, economic uncertainties introduced by tax credits, capital costs and oil price are investigated by this study. The results indicate that the tax incentive policy (Section 45Q) plays a vital role in enhancing the economic returns of CO 2 -EOR projects, especially under the depression of crude oil market. The proposed workflow has been successfully implemented to optimize a water alternative CO 2 (CO 2 -WAG) injection project in a depleted oil sand in the US. The optimization results yield an incremental oil production of 15.8 MM STB and 1.37 MM metric tons of CO 2 storage in a 20-year development strategy, with the highest project NPV to be 205.6 MM US dollars.

03 NATURAL GAS↗

A checkpoint compression study for high-performance computing systems

As high-performance computing systems continue to increase in size and complexity, higher failure rates and increased overheads for checkpoint/restart (CR) protocols have raised concerns about the practical viability of CR protocols for future systems. Previously, compression has proven to be a viable approach for reducing checkpoint data volumes and, thereby, reducing CR protocol overhead leading to improved application performance. In this article, we further explore compression-based CR optimization by exploring its baseline performance and scaling properties, evaluating whether improved compression algorithms might lead to even better application performance and comparing checkpoint compression against and alongside other software- and hardware-based optimizations. Our results highlights are: (1) compression is a very viable CR optimization; (2) generic, text-based compression algorithms appear to perform near optimally for checkpoint data compression and faster compression algorithms will not lead to better application performance; (3) compression-based optimizations fare well against and alongside other software-based optimizations; and (4) while hardware-based optimizations outperform software-based ones, they are not as cost effective.

97 MATHEMATICS AND COMPUTING↗

Radio frequency sensing and its innovative applications in diverse sectors: A comprehensive study

Recent advancements in radio frequency (RF) sensing technology can be attributed to the development of the Internet of Things (IoT), healthcare, RF-identification, and communication applications. RF sensing is a multidisciplinary research field that requires expertise in computing, electronics, and electromagnetics to cover all system features, including protocol development, antenna design, sensor integration, algorithm formulation, interconnection, data, and analytics. The overarching aim of this work is to present detailed information about RF technologies and their innovations and application diversity from the novel work carried out at CSI Lab1, together in one platform with an extensive survey. This study presents state-of-the art applications and RF sensing that include W-Fi, radar, and SDR and RFID-based sensing. A comprehensive survey and study of the advantages and limitations of each non-contact technology is discussed. Additionally, open research gaps have been identified as well. Decades of knowledge and experience have been put to use to meet new challenges and demands. The development and study of RF systems, IoT, RFID sensing, and research and deployment activities, are briefly discussed. The emerging research projects with industry, institutional research centers, and academic studies are also addressed. Finally, an outline of identified potential future research areas is provided, emphasizing opportunities and challenges.

47 OTHER INSTRUMENTATION↗

Nanoconfinement Inside Molecular Metal Oxide Clusters: Dynamics and Modified Encapsulation Behavior

Abstract Encapsulation behavior, as well as the presence of internal catalytically active sites, has been spurring the applications of a 3 nm hollow spherical metal oxide cluster {Mo 132 } as an encapsulation host and a nanoreactor. Due to its well‐defined and tunable cluster structures, and nanoscaled internal void space comparable to the volumes of small molecules, this cluster provides a good model to study the dynamics of materials under nanoconfinement. Neutron scattering studies suggest that bulky internal ligands inside the cluster show slower and limited dynamics compared to their counterparts in the bulk state, revealing the rigid nature of the skeleton of the internal ligands. NMR studies indicate that the rigid internal ligands that partially cover the interfacial pore on the molybdenum oxide shells are able to block some large guest molecules from going inside the capsule cluster, which provides a convincing protocol for size‐selective encapsulation and separation.

Wang, Zhe↗

An Effective Protocol for Proteome Analysis of Medaka (Oryzias latipes) after Acute Exposure to Ionizing Radiation

All terrestrial organisms are subject to evolutionary pressures associated with natural sources of ionizing radiation (IR). The legacy of human-induced IR associated with energy, weapons production, medicine, and research has changed the distribution and magnitude of these evolutionary pressures. To date, no study has systematically examined the effects of environmentally relevant doses of radiation exposure across an organismal proteome. This void in knowledge has been due, in part, to technological deficiencies that have hampered quantifiable environmentally relevant IR doses and sensitive detection of proteomic responses. Here, we describe a protocol that addresses both needs, combining quantifiable IR delivery with a reliable method to yield proteomic comparisons of control and irradiated Medaka fish. Exposures were conducted at the Savannah River Ecology Laboratory (SREL, in Aiken, SC), where fish were subsequently dissected into three tissue sets (carcasses, organs and intestines) and frozen until analysis. Tissue proteins were extracted, resolved by Sodium Dodecyl Sulfate-Polyacrylamide Gel Electrophoresis (SDS-PAGE), and each sample lane was divided into ten equal portions. Following in-gel tryptic digestion, peptides released from each gel portion were identified and quantified by Liquid Chromatography-Mass Spectrometry (LC-MS/MS) to obtain the most complete, comparative study to date of proteomic responses to environmentally relevant doses of IR. This method provides a simple approach for use in ongoing epidemiologic studies of chronic exposure to environmentally relevant levels of IR and should also serve well in physiological, developmental, and toxicological studies.

Pérez-Gélvez, Yeni (ORCID:0000000218120049)↗

Blood lead levels and hypothalamic-pituitary-adrenal function in middle-aged individuals

Highlights: • We assessed cortisol secretions (CS) in adults aged 50–67 years. • We reported changes in CS in relation to blood lead levels. • At low-levels, lead does not impact the global trend of salivary CS. Experimental and epidemiological studies suggested that exposure to lead (Pb) may influence the hypothalamic-pituitary-adrenal (HPA) axis. However, previous studies have yielded mixed results. We evaluated changes in basal salivary cortisol levels and acute cortisol responsivity to psychological stress in relation with blood Pb levels (BPb), in Caucasian individuals 50–67 years of age. Data were collected through the Study of Genetics, Stress and Cognitive Development (2004–2006). Diurnal basal and stress-reactive salivary cortisol levels were collected and BPb levels were determined using inductively coupled plasma mass spectroscopy. A total of 65 participants were included in the current study. General linear mixed models were used to assess the association between BPb level and change in cortisol secretion over time, for diurnal basal pattern and stress-reactive pattern, respectively. The geometric mean BPb was 2.70 μg/dL (± 1.44) and two exposure groups were created based on the median value of 2.48 µg/dL. No difference in geometric mean of salivary cortisol (µg/dL) at awakening was observed between High and Low BPb groups (0.23 (± 0.11) vs 0.20 (± 0.11), p = 0.36). The overall pattern of change in both diurnal basal (from the awakening to bedtime) and reactive salivary cortisol (during the stress induction protocol) did not differ between groups. In these middle-aged and older adults, we concluded that Pb exposure, within the range observed in the current study, was associated with neither diurnal nor stress-reactive cortisol secretion. Further investigation with larger datasets are needed to confirm our observations.

54 ENVIRONMENTAL SCIENCES↗

Effect of whole-body and local heating on cutaneous vasoconstrictor responses in humans

Animal studies suggest that alpha-adrenergic-mediated vasoconstriction is compromised during whole-body heating. The purpose of this study was to identify whether whole-body heating and/or local surface heating reduce cutaneous alpha-adrenergic vasoconstrictor responsiveness in human skin. Protocol I: Six subjects were exposed to neutral skin temperature (i.e., 34 degrees C), whole-body heating, and local heating of forearm skin to increase skin blood flow to the same relative magnitude as that observed during whole-body heating. Protocol II: In eight subjects forearm skin was locally heated to 34, 37, 40, and 42 degrees C. During both protocols, alpha-adrenergic vasoconstrictor responsiveness was assessed by local delivery of norepinephrine (NE) via intradermal microdialysis. Skin blood flow was continuously monitored over each microdialysis membrane via laser-Doppler flowmetry. In protocol I, whole-body and local heating caused similar increases in cutaneous vascular conductance (CVC). The EC50 (log NE dose) of the dose-response curves for both whole body (-4.2 +/- 0.1 M) and local heating (-4.7 +/- 0.4 M) were significantly greater (i.e., high dose required to cause 50% reduction in CVC) relative to neutral skin temperature (- 5.6 +/- 0.0 M; P<0.05 for both). In both local and whole-body heated conditions CVC did not return to pre-heating values even at the highest dose of NE. In protocol II, calculated EC50 for 34, 37, 40, and 42 degrees C local heating was - 5.5 +/- 0.4, -4.6 +/- 0.3, -4.5 +/- 0.3, - 4.2 +/- 0.4 M, respectively. Statistical analyses revealed that the EC50 for 37,40 and 42 degrees C were significantly greater than the EC50 for 34 degrees C. These results indicate that even during administration of high concentrations of NE, alpha-adrenergic vasoconstriction does not fully compensate for local heating and whole-body heating induced vasodilatation in young, healthy subjects. Moreover, these data suggest that elevated local temperatures, above 37 degrees C, and whole-body heating similarly attenuate cutaneous alpha-adrenergic vasoconstriction responsiveness.

Non-NASA Center↗

Purifying Nucleic Acids from Samples of Extremely Low Biomass

A new method is able to circumvent the bias to which one commercial DNA extraction method falls prey with regard to the lysing of certain types of microbial cells, resulting in a truncated spectrum of microbial diversity. By prefacing the protocol with glass-bead-beating agitation (mechanically lysing a much more encompassing array of cell types and spores), the resulting microbial diversity detection is greatly enhanced. In preliminary studies, a commercially available automated DNA extraction method is effective at delivering total DNA yield, but only the non-hardy members of the bacterial bisque were represented in clone libraries, suggesting that this method was ineffective at lysing the hardier cell types. To circumvent such a bias in cells, yet another extraction method was devised. In this technique, samples are first subjected to a stringent bead-beating step, and then are processed via standard protocols. Prior to being loaded into extraction vials, samples are placed in micro-centrifuge bead tubes containing 50 micro-L of commercially produced lysis solution. After inverting several times, tubes are agitated at maximum speed for two minutes. Following agitation, tubes are centrifuged at 10,000 x g for one minute. At this time, the aqueous volumes are removed from the bead tubes and are loaded into extraction vials to be further processed via extraction regime. The new method couples two independent methodologies in such as way as to yield the highest concentration of PCR-amplifiable DNA with consistent and reproducible results and with the most accurate and encompassing report of species richness.

La Duc, Myron↗

iVirus 2.0: Cyberinfrastructure-supported tools and data to power DNA virus ecology

Microbes drive myriad ecosystem processes, but under strong influence from viruses. Because studying viruses in complex systems requires different tools than those for microbes, they remain underexplored. To combat this, we previously aggregated double-stranded DNA (dsDNA) virus analysis capabilities and resources into ‘iVirus’ on the CyVerse collaborative cyberinfrastructure. Here we substantially expand iVirus’s functionality and accessibility, to iVirus 2.0, as follows. First, core iVirus apps were integrated into the Department of Energy’s Systems Biology KnowledgeBase (KBase) to provide an additional analytical platform. Second, at CyVerse, 20 software tools (apps) were upgraded or added as new tools and capabilities. Third, nearly 20-fold more sequence reads were aggregated to capture new data and environments. Finally, documentation, as “live” protocols, was updated to maximize user interaction with and contribution to infrastructure development. Together, iVirus 2.0 serves as a uniquely central and accessible analytical platform for studying how viruses, particularly dsDNA viruses, impact diverse microbial ecosystems.

Bolduc, Benjamin (ORCID:0000000324200755)↗

SuperLab 2.0 Showcase: Connecting Five Labs to Tackle Grid Complexity and Unlock Unique Grid Asset Potential

SuperLab 2.0 (5-Lab Demo) is a collaborative, national-scale experiment showcasing the coordination of geographically distributed energy assets in real time. The demonstration integrates 25 physical and digital assets, spanning wind, PV, batteries, electrolyzers, DC fast chargers, microgrid controllers, building automation systems, small modular reactor (SMR), control centers, and gas turbines, across five DOE national laboratories-NLR, INL, NETL, LBNL, and SNL. These assets are unified using Energy Sciences Network (ESnet), a low-latency, high-performance U.S. Department of Energy's (DOE) network, and controlled via a centralized energy controller hosted at NLR's ARIES facility. The demonstration validates the ability to stress-test hybrid energy systems under dynamic scenarios to de-risk advanced control strategies for greater resilience and flexibility. SuperLab 2.0 (5-Lab Demo) showcased a major advancement in federated national laboratory collaboration, enabling real-time, cross-laboratory experimentation to coordinate geographically dispersed distributed energy resources (DERs) using various communication protocols and networks. SuperLab 2.0 (5-Lab Demo) built on previous demonstrations conducted between NLR-PNNL and NLR-INL connecting diverse assets including distant protection devices, a SMR simulator, and a high temperature electrolyzer (HTE). Previous demos were based on a single connection between two labs with minimal coordination challenges. The 5-Lab demo with a centralized controller, distributed testbeds across different geographical locations, and use of protocols-based communication represents a scenario closer to real-world grid operations that coordinate resources across a region to meet system needs. This experiment studied how local DER controllers interact with a centralized energy controller during normal and abnormal events to maintain reliability. The SuperLab team across the five labs implemented a notional power system model equivalent of transmission and distribution lines, represented by the data networks interconnecting the labs. Each lab continuously exchanged local parameters (such as P and Q) from its Hardware-In-Loop (CHIL) and Power Hardware-In-Loop (PHIL) assets through centralized energy controller at NLR, enabling real-time interaction and coordination across sites. By leveraging ESnet as the communication backbone, the team successfully operated the distributed assets as a unified power system, with each bus represented by a different laboratory. This setup mirrors how assets interact in real-world power systems across dispersed locations with various protocols and latencies. At each lab site, assets were operated using their own local controllers which were coordinated through an overarching operation and control layer of centralized energy controller, equivalent to how an energy management system (EMS) orchestrates assets across a regional or national grid. SuperLab's federated connectivity utilized a Digital Real-Time Simulators (DRTS)-type gateway to connect Controller Hardware-In-Loop (CHIL) and PHIL assets between labs. To enable this federated connection through ESnet, a deterministic network was established where latency variations were consistent. This consistency allowed the development of digital filters for the power system assets across CHIL and PHIL interfaces to avoid unstable and unreliable grid conditions. This report provides an overview of the cross-laboratory configuration and offers insights into interconnecting geographically distributed research assets to test them as if they were co-located. This experiment represents a step toward linking nine DOE national laboratories, enabling nation-wide simulations that can address utility-driven challenges with grid resilience, flexibility, and modernization.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Permethylation as a strategy for high–molecular–weight polysaccharide structure analysis by nuclear magnetic resonance—Case study of Xylella fastidiosa extracellular polysaccharide

Current practices for structural analysis of extremely large-molecular-weight polysaccharides via solution-state nuclear magnetic resonance (NMR) spectroscopy incorporate partial depolymerization protocols that enable polysaccharide solubilization in suitable solvents. Non-specific depolymerization techniques utilized for glycosidic bond cleavage, such as chemical degradation or ultrasonication, potentially generate structural fragments that can complicate complete and accurate characterization of polysaccharide structures. Utilization of appropriate enzymes for polysaccharide degradation, on the other hand, requires prior structural knowledge and optimal enzyme activity conditions that are not available to an analyst working with novel or unknown compounds. Herein, we describe an application of a permethylation strategy that allows the complete dissolution of intact polysaccharides for NMR structural characterization. This approach is utilized for NMR analysis of Xylella fastidiosa extracellular polysaccharide (EPS), which is essential for the virulence of the plant pathogen that affects multiple commercial crops and is responsible for multibillion dollar losses each year.

13C↗

An exactly solvable quench protocol for integrable spin models

Quantum quenches in continuum field theory across critical points are known to display different scaling behaviours in different regimes of the quench rate. We extend these results to integrable lattice models such as the transverse field Ising model on a one-dimensional chain and the Kitaev model on a two-dimensional honeycomb lattice using a nonlinear quench protocol which allows for exact analytical solutions of the dynamics. Our quench protocol starts with a finite mass gap at early times and crosses a critical point or a critical region, and we study the behaviour of one point functions of the quenched operator at the critical point or in the critical region as a function of the quench rate. For quench rates slow compared to the initial mass gap, we find the expected Kibble-Zurek scaling. In contrast, for rates fast compared to the mass gap, but slow compared to the inverse lattice spacing, we find scaling behaviour similar to smooth fast continuum quenches. For quench rates of the same order of the lattice scale, the one point function saturates as a function of the rate, approaching the results of an abrupt quench. The presence of an extended critical surface in the Kitaev model leads to a variety of scaling exponents depending on the starting point and on the time where the operator is measured. We discuss the role of the amplitude of the quench in determining the extent of the slow (Kibble-Zurek) and fast quench regimes, and the onset of the saturation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

RXIO: Design and implementation of high performance RDMA-capable GridFTP

For its low-latency, high bandwidth, and low CPU utilization, Remote Direct Memory Access (RDMA) has established itself as an effective data movement technology in many networking environments. However, the transport protocols of grid run-time systems, such as GridFTP in Globus, are not yet capable of utilizing RDMA. In this study, we examine the architecture of GridFTP for the feasibility of enabling RDMA. An RDMA-capable XIO (RXIO) framework is designed and implemented to extend its XIO system and match the characteristics of RDMA. Our experimental results demonstrate that RDMA can significantly improve the performance of GridFTP, reducing the latency by 32% and increasing the bandwidth by more than three times. In achieving such performance improvements, RDMA dramatically cuts down CPU utilization of GridFTP clients and servers. In conclusion, these results demonstrate that RXIO can effectively exploit the benefits of RDMA for GridFTP. It offers a good prototype to further leverage GridFTP on wide-area RDMA networks.

97 MATHEMATICS AND COMPUTING↗

Using Generalized Equivalent Uniform Dose Atlases to Combine and Analyze Prospective Dosimetric and Radiation Pneumonitis Data From 2 Non-Small Cell Lung Cancer Dose Escalation Protocols

Purpose: To demonstrate the use of generalized equivalent uniform dose (gEUD) atlas for data pooling in radiation pneumonitis (RP) modeling, to determine the dependence of RP on gEUD, to study the consistency between data sets, and to verify the increased statistical power of the combination. Methods and Materials: Patients enrolled in prospective phase I/II dose escalation studies of radiation therapy of non-small cell lung cancer at Memorial Sloan-Kettering Cancer Center (MSKCC) (78 pts) and the Netherlands Cancer Institute (NKI) (86 pts) were included; 10 (13%) and 14 (17%) experienced RP requiring steroids (RPS) within 6 months after treatment. gEUD was calculated from dose-volume histograms. Atlases for each data set were created using 1-Gy steps from exact gEUDs and RPS data. The Lyman-Kutcher-Burman model was fit to the atlas and exact gEUD data. Heterogeneity and inconsistency statistics for the fitted parameters were computed. gEUD maps of the probability of RPS rate {>=}20% were plotted. Results: The 2 data sets were homogeneous and consistent. The best fit values of the volume effect parameter a were small, with upper 95% confidence limit around 1.0 in the joint data. The likelihood profiles around the best fit a values were flat in all cases, making determination of the best fit a weak. All confidence intervals (CIs) were narrower in the joint than in the individual data sets. The minimum P value for correlations of gEUD with RPS in the joint data was .002, compared with P=.01 and .05 for MSKCC and NKI data sets, respectively. gEUD maps showed that at small a, RPS risk increases with gEUD. Conclusions: The atlas can be used to combine gEUD and RPS information from different institutions and model gEUD dependence of RPS. RPS has a large volume effect with the mean dose model barely included in the 95% CI. Data pooling increased statistical power.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Insight into SEI Growth in Li-Ion Batteries using Molecular Dynamics and Accelerated Chemical Reactions

The performance of lithium-ion batteries (LIB) using organic electrolytes strongly depends on the formation of a stable solid electrolyte interphase (SEI) film. Elucidating the dynamic evolution and spatial composition of the SEI can be very useful to study the stability of SEI components and help optimize the formation cycles of LIB. We propose a classical molecular dynamics simulation protocol for predicting the first stages of SEI formation using a reaction method involving the decomposition of EC and LiPF 6 molecules in the electrolyte. We accelerate the formation of SEI components near the anode surface by increasing the probability of reactions, implemented through a geometry matching scheme, followed by a force-field reconfiguration. We observe the formation of gases (C 2 H 4 ), inorganic (Li 2 CO 3 and LiF) and organic (LEDC) components. Finally, this protocol shows promise to be able to evaluate the effects of varying electrolyte compositions and additives on SEI layer structure and composition.

25 ENERGY STORAGE↗