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How fast can one resize a distributed file system?

Efficient resource utilization becomes a major concern as large-scale distributed computing infrastructures keep growing in size. Malleability, the possibility for resource managers to dynamically increase or decrease the amount of resources allocated to a job, is a promising way to save energy and costs. However, state-of-the-art parallel and distributed storage systems have not been designed with malleability in mind. The reason is mainly the supposedly high cost of data transfers required by resizing operations. Nevertheless, as network and storage technologies evolve, old assumptions about potential bottlenecks can be revisited. In this study, we evaluate the viability of malleability as a design principle for a distributed storage system. We specifically model the minimal duration of the commission and decommission operations. To show how our models can be used in practice, we evaluate the performance of these operations in HDFS, a relevant state-of-the-art distributed file system. We show that the existing decommission mechanism of HDFS is good when the network is the bottleneck, but can be accelerated by up to a factor 3 when storage is the limiting factor. We also show that the commission in HDFS can be substantially accelerated. With the highlights provided by our model, we suggest improvements to speed both operations in HDFS. We discuss how the proposed models can be generalized for distributed file systems with different assumptions and what perspectives are open for the design of efficient malleable distributed file systems.

97 MATHEMATICS AND COMPUTING↗

The FRC Acceleration Space Thruster (FAST) Experiment

The objective of the FRC (Field Reversed Configuration) Acceleration Space Thruster (FAST) Experiment is to investigate the use of a repetitive FRC source as a thruster, specifically for an NEP (nuclear electric propulsion) system. The Field Reversed Configuration is a plasmoid with a closed poloidal field line structure, and has been extensively studied as a fusion reactor core. An FRC thruster works by repetitively producing FRCs and accelerating them to high velocity. An FRC thruster should be capable of I(sub sp)'s in the range of 5,000 - 25,000 seconds and efficiencies in the range of 60 - 80 %. In addition, they can have thrust densities as high as 10(exp 6) N/m2, and as they are inductively formed, they do not suffer from electrode erosion. The jet-power should be scalable from the low to the high power regime. The FAST experiment consists of a theta-pinch formation chamber, followed by an acceleration stage. Initially, we will produce and accelerate single FRCs. The initial focus of the experiment will be on the ionization, formation and acceleration of a single plasmoid, so as to determine the likely efficiency and I(sub sp). Subsequently, we will modify the device for repetitive burst-mode operation (5-10 shots). A variety of diagnostics are or will be available for this work, including a HeNe interferometer, high-speed cameras, and a Thomson-scattering system. The status of the experiment will be described.

Martin, Adam↗

GX: a GPU-native gyrokinetic turbulence code for tokamak and stellarator design

GX is a code designed to solve the nonlinear gyrokinetic system for low-frequency turbulence in magnetized plasmas, particularly tokamaks and stellarators. In GX, our primary motivation and target is a fast gyrokinetic solver that can be used for fusion reactor design and optimization along with wide-ranging physics exploration. Here, this has led to several code and algorithm design decisions, specifically chosen to prioritize time to solution. First, we have used a discretization algorithm that is pseudospectral in the entire phase space, including a Laguerre–Hermite pseudospectral formulation of velocity space, which allows for smooth interpolation between coarse gyrofluid-like resolutions and finer conventional gyrokinetic resolutions and efficient evaluation of a model collision operator. Additionally, we have built GX to natively target graphics processors (GPUs), which are among the fastest computational platforms available today. Finally, we have taken advantage of the reactor-relevant limit of small $\rho _*$ by using the radially local flux-tube approach. In this paper we present details about the gyrokinetic system and the numerical algorithms used in GX to solve the system. We then present several numerical benchmarks against established gyrokinetic codes in both tokamak and stellarator magnetic geometries to verify that GX correctly simulates gyrokinetic turbulence in the small $\rho _*$. Moreover, we show that the convergence properties of the Laguerre–Hermite spectral velocity formulation are quite favourable for nonlinear problems of interest. Coupled with GPU acceleration, which we also investigate with scaling studies, this enables GX to be able to produce useful turbulence simulations in minutes on one (or a few) GPUs and higher fidelity results in a few hours using several GPUs. GX is open-source software that is ready for fusion reactor design studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Evaluation of Hydrogen Production Feasibility for a Light Water Reactor in the Midwest

Increased electricity production from renewable energy resources coupled with low natural gas prices has caused existing light-water reactor (LWRs) to experience ever diminishing returns from the electricity market. Via partnership among Idaho National Laboratory (INL), The National Renewable Energy Laboratory (NREL), Argonne National Laboratory (ANL), Exelon, and Fuel Cell Energy a techno-economic analysis on the viability of retrofitting existing pressurized water reactors (PWRs) to produce hydrogen (H2) via high temperature steam electrolysis (HTSE) has been conducted. Such integration would allow nuclear facilities to expand into additional markets that may be more profitable in the long-term. To accommodate such an integration, a detailed analysis of HTSE process operation, requirements, and flexibility was conducted. Technical analysis includes proposed nuclear system control scheme modifications to allow dynamic operation of the HTSE via both thermal and electrical connection to the nuclear plant. High fidelity Modelica simulations showcase the viability of such control schemes. However, due to limited knowledge of solid oxide fuel cell (SOFC) stack degradation due to thermal gradients; thermal cycling of the HTSE was not included. Therefore, the control schemes proposed are only utilized to re-distribute steam at startup and only the portion of electricity utilized in the electrolyzers is cycled. From the detailed analysis of the nuclear integration and the HTSE process design, a comprehensive cost estimation was conducted in the APEA and H2A models to elucidate capital and operational costs associated with the production, compression, and distribution of hydrogen from a nuclear facility. Alongside this costing analysis, market analyses were conducted by NREL and ANL on the electric and hydrogen markets respectively in the PJM interconnect. Utilizing the electricity data market projections in the PJM interconnect from NREL and hydrogen demand/pricing projections from ANL a five variable sweep over component capacities, discount rates, and hydrogen pricing was completed using the stochastic framework RAVEN (Risk Analysis Virtual ENVironment) through its resource dispatch plugin HERON (Heuristic Energy Resource Optimization Network). Each combination of variables was evaluated stochastically four times over a seventeen year timespan from 2026-2042 (inclusive) to determine the most economically advantageous solution. Following the five variable sweep an optimization was conducted about the best sweep point to determine optimal component sizing and setpoints. Results suggest positive gain is achievable at all projected hydrogen market pricing levels and at all discount rates. However, exact component sizing and net returns vary based on these values and if incorrect sizing is selected; major net losses can occur. The optimal result occurred with set points as follows: high hydrogen prices, the largest possible HTSE unit in the sweep set at 7.47 kg/sec [645.4 tpd], a contractual hydrogen market agreement 7.29 kg/sec [629.8 tpd], and a hydrogen storage size 115,188 kg. The analysis suggested that with a discount rate of 8%, a ΔNPV = 1.2 billion over the seventeen year span can be achieved. The results illuminate that by operating in multiple markets the nuclear facility is capable of avoiding sale of electricity during times of low electricity market pricing, while maintaining the ability to capitalize on the high electricity market pricing. It should be noted that the analysis conducted in this report is a differential cash flow analysis and as such does not present profit levels. Instead it highlights the net benefit between building and competing in the hydrogen market utilizing nuclear facilities and conducting business as usual in the electricity markets. Additionally, results presented in this report exhibit conservatism due to four key assumptions: Given the limited knowledge on SOFC stack degradation due to thermal gradients the high temperature steam electrolysis plant is not allowed to thermally cycle. This limitation decreases electricity generation capacity in the nuclear plant, reducing capacity payments and the maximum output to the electrical grid. This analysis considers building a separate hydrogen pipeline for use in the nuclear facility. Research is currently being conducted to determine if existing natural gas pipelines can accommodate direct hydrogen injection. If hydrogen can be integrated into existing natural gas pipelines then a capital savings of ~$19,000,000 per kg/sec [1 kg/sec = 86.4 tpd] of installed HTSE capacity could be realized. Fast transients in the electric grid are typically served by flywheels and electric batteries. With electrolysis only operation the nuclear plant can flex its electricity just as quickly. However, for this analysis, the ancillary services market has been neglected. Should the nuclear plant have the ability to operate in the ancillary services market during periods when it is producing hydrogen, an additional substantial income stream that would increase overall system profitability could be considered. Subsidies for non-emitting generation technologies are not introduced in the cash flow analysis, but instead are completed assuming zero subsidies. Profitability is based solely on electricity pricing. Electric pricing is assumed to never go negative. Instead, it is assumed overall system curtailment by the Independent System Operator (ISO) will occur in such a manner that pricing remains at or above zero. This assumption inflates the “business as usual” scenario, thus decreasing the ΔNPV calculated. If negative pricing scenarios continue to occur as they do today, one would expect a further increase in ΔNPV. Overall, results advocate that, through market diversification, nuclear power plants have the potential to substantially increase current profit margins, increase market penetration, and ultimately solidify their place as a mainstay in energy production.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Impact of feedstock quality and variation on biochemical and thermochemical conversion

The production of biofuels from lignocellulosic feedstock is attracting considerable attention in the United States and globally as a strategy to diversify energy resources, spur regional economic development and reduce greenhouse gas emissions. Because of the wide variation in feedstock types, compositions and content of convertible organics, there is a growing need to better understand correlations among feedstock quality attributes and conversion performance. Knowledge of the feedstock impact on conversion is essential to supply quality controlled, uniform and on-spec feedstocks to biorefineries. This review paper informs the development of meaningful feedstock quality specifications for different conversion processes. Discussions are focused on how compositional properties of feedstocks affect various unit operations in biochemical conversion processes, fast pyrolysis and hydrothermal liquefaction. In addition, future perspectives are discussed that focus on the challenges and prospects of addressing compositionally intrinsic inhibitors through feedstock preprocessing at regionally distributed depots. As a result, such preprocessing depots may allow for the commoditization of lignocellulosic feedstock and realization of stable, cost-effective and quality controlled biomass supply systems.

09 BIOMASS FUELS↗

Effect of THz-bandwidth incoherent laser radiation on bulk damage in potassium dihydrogen phosphate crystals

Abstract The laser-damage performance characteristics of potassium dihydrogen phosphate (KDP) samples under exposure to a distinctive broadband incoherent laser pulse are investigated. A laser system providing such pulses is intended to explore improved energy-coupling efficiency on the target in direct-drive inertial confinement fusion experiments and provides incoherent bandwidths as large as 10 THz in a nanosecond pulse. A consequence of this bandwidth is very rapid fluctuations in intensity capable of reaching maxima much larger than the average intensity within the pulse. A custom damage-test station has been built to perform measurements with broadband incoherent pulses in order to determine what effect these fast and high-intensity oscillations have on laser damage. A set of experiments under different bandwidth and beam configurations shows the effect to be minimal when probing bulk damage in KDP. Modeling indicates this behavior is supported by long electron-relaxation times compared to the source-field fluctuations, following excitation of individual electrons in the conduction band. The results help better understand the laser-induced–damage mechanisms in KDP, and its ability to operate in broadband temporally incoherent high-energy lasers that may be particularly suitable for future laser-fusion energy systems.

36 MATERIALS SCIENCE↗

Evaluation of inter-laminar shear strength of GFRP composed of bonded glass/polyimide tapes and cyanate-ester/epoxy blended resin for ITER TF coils

The insulation system of the ITER TF coils consists of multi-layer glass/polyimide tapes impregnated a cyanate-ester/epoxy resin. The ITER TF coils are required to withstand an irradiation of 10 MGy from gamma-ray and neutrons since the ITER TF coils is exposed by fast neutron (>0.1 MeV) of 10{sup 22} n/m{sup 2} during the ITER operation. Cyanate-ester/epoxy blended resins and bonded glass/polyimide tapes are developed as insulation materials to realize the required radiation-hardness for the insulation of the ITER TF coils. To evaluate the radiation-hardness of the developed insulation materials, the inter-laminar shear strength (ILSS) of glass-fiber reinforced plastics (GFRP) fabricated using developed insulation materials is measured as one of most important mechanical properties before/after the irradiation in a fission reactor of JRR-3M. As a result, it is demonstrated that the GFRPs using the developed insulation materials have a sufficient performance to apply for the ITER TF coil insulation.

07 ISOTOPE AND RADIATION SOURCES↗

Techno-Economic Analysis of BEVs with Fast Charging Infrastructure: Preprint

Battery electric vehicles (BEVs) offer the potential to reduce both oil imports and greenhouse gas emissions, but high upfront costs, battery-limited vehicle range, and concern over high battery replacement costs may discourage many potential purchasers. One proposed solution is to employ a subscription model under which a service provider assumes ownership of the battery while providing access to vast fast charging infrastructure. Thus, high upfront and subsequent battery replacement costs are replaced by a predictable monthly fee, and battery-limited range is replaced by a larger infrastructure-limited range. Assessing the costs and benefits of such a proposal are complicated by many factors, including customer drive patterns, the amount of required infrastructure, and battery life. Herein the National Renewable Energy Laboratory applies its Battery Ownership Model to address these challenges and compare the economics and utility of a BEV fast charging service plan to a traditional direct ownership option. In single vehicle households, where such a service is most valuable, we find that operating a BEV under a fast charge service plan can be more cost-effective than direct ownership of a BEV, but it is rarely more cost-effective than direct ownership of a conventional vehicle.

25 ENERGY STORAGE↗

Inverse Load Calculation of Wind Turbine Support Structures - A Numerical Verification Using the Comprehensive Simulation Code FAST: Preprint (Revised)

Physically measuring the dynamic responses of wind turbine support structures enables the calculation of the applied loads using an inverse procedure. In this process, inverse means deriving the inputs/forces from the outputs/responses. This paper presents results of a numerical verification of such an inverse load calculation. For this verification, the comprehensive simulation code FAST is used. FAST accounts for the coupled dynamics of wind inflow, aerodynamics, elasticity and turbine controls. Simulations are run using a 5-MW onshore wind turbine model with a tubular tower. Both the applied loads due to the instantaneous wind field and the resulting system responses are known from the simulations. Using the system responses as inputs to the inverse calculation, the applied loads arecalculated, which in this case are the rotor thrust forces. These forces are compared to the rotor thrust forces known from the FAST simulations. The results of these comparisons are presented to assess the accuracy of the inverse calculation. To study the influences of turbine controls, load cases in normal operation between cut-in and rated wind speed, near rated wind speed and between ratedand cut-out wind speed are chosen. The presented study shows that the inverse load calculation is capable of computing very good estimates of the rotor thrust. The accuracy of the inverse calculation does not depend on the control activity of the wind turbine.

17 WIND ENERGY↗

Characteristics of a Well Clear Definition and Alerting Criteria for Encounters Between UAS and Manned Aircraft in Class E Airspace

Unmanned aircraft systems (UAS) will be required to equip with a detect-and-avoid (DAA) system in order to satisfy the federal aviation regulations to remain well clear of other aircraft. For a DAA system to satisfy the requirement to stay well clear of other airborne traffic, a quantitative definition of well clear needs to be defined and evaluated. This study investigates the implications of UAS using proposed well clear definitions as a separation standard for conducting operations in the National Airspace System (NAS). The first analysis considers three well clear definitions and presents the relative state conditions of intruder aircraft as they encroach upon the well clear boundary. The second analysis focuses on the definition of the alerting criteria needed to inform the UAS operator of a potential loss of well clear. All analyses are conducted in a NAS-wide fast-time simulation environment using UAS aircraft models, proposed UAS missions, and historical air defense radar data to populate the background traffic operating under visual flight rules. The results presented in this study inform the safety case, requirements development, and the operational environment for DAA minimum operational performance standards.

Safety↗

Autonomous Multi-Sensor Coordination: The Science Goal Monitor

Many dramatic earth phenomena are dynamic and coupled. In order to fully understand them, we need to obtain timely coordinated multi-sensor observations from widely dispersed instruments. Such a dynamic observing system must include the ability to Schedule flexibly and react autonomously to sciencehser driven events; Understand higher-level goals of a sciencehser defined campaign; Coordinate various space-based and ground-based resources/sensors effectively and efficiently to achieve goals. In order to capture transient events, such a 'sensor web' system must have an automated reactive capability built into its scientific operations. To do this, we must overcome a number of challenges inherent in infusing autonomy. The Science Goal Monitor (SGM) is a prototype software tool being developed to explore the nature of automation necessary to enable dynamic observing. The tools being developed in SGM improve our ability to autonomously monitor multiple independent sensors and coordinate reactions to better observe dynamic phenomena. The SGM system enables users to specify what to look for and how to react in descriptive rather than technical terms. The system monitors streams of data to identify occurrences of the key events previously specified by the scientisther. When an event occurs, the system autonomously coordinates the execution of the users' desired reactions between different sensors. The information can be used to rapidly respond to a variety of fast temporal events. Investigators will no longer have to rely on after-the-fact data analysis to determine what happened. Our paper describes a series of prototype demonstrations that we have developed using SGM and NASA's Earth Observing-1 (EO-1) satellite and Earth Observing Systems' Aqua/Terra spacecrafts' MODIS instrument. Our demonstrations show the promise of coordinating data from different sources, analyzing the data for a relevant event, autonomously updating and rapidly obtaining a follow-on relevant image. SGM was used to investigate forest fires, floods and volcanic eruptions. We are now identifying new Earth science scenarios that will have more complex SGM reasoning. By developing and testing a prototype in an operational environment, we are also establishing and gathering metrics to gauge the success of automating science campaigns.

Koratkar, Anuradha↗

Fast Solution of Fully Implicit Runge--Kutta and Discontinuous Galerkin in Time for Numerical PDEs, Part I: the Linear Setting

Fully implicit Runge--Kutta (IRK) methods have many desirable properties as time integration schemes in terms of accuracy and stability, but high-order IRK methods are not commonly used in practice with numerical PDEs due to the difficulty of solving the stage equations. This paper introduces a theoretical and algorithmic preconditioning framework for solving the systems of equations that arise from IRK methods applied to linear numerical PDEs (without algebraic constraints). Additionally, this framework also naturally applies to discontinuous Galerkin discretizations in time. Under quite general assumptions on the spatial discretization that yield stable time integration, the preconditioned operator is proven to have condition number bounded by a small, order-one constant, independent of the spatial mesh and time-step size, and with only weak dependence on number of stages/polynomial order; for example, the preconditioned operator for 10th-order Gauss IRK has condition number less than two, independent of the spatial discretization and time step. The new method can be used with arbitrary existing preconditioners for backward Euler-type time-stepping schemes and is amenable to the use of three-term recursion Krylov methods when the underlying spatial discretization is symmetric. The new method is demonstrated to be effective on various high-order finite-difference and finite element discretizations of linear parabolic and hyperbolic problems, demonstrating fast, scalable solution of up to 10th-order accuracy. The new method consistently outperforms existing block preconditioning approaches, and in several cases, the new method can achieve 4th-order accuracy using Gauss integration with roughly half the number of preconditioner applications and wallclock time as required using standard diagonally IRK methods.

97 MATHEMATICS AND COMPUTING↗

Cable Tester Box

Cables are very important electrical devices that carry power and signals across multiple instruments. Any fault in a cable can easily result in a catastrophic outcome. Therefore, verifying that all cables are built to spec is a very important part of Electrical Integration Procedures. Currently, there are two methods used in lab for verifying cable connectivity. (1) Using a Break-Out Box and an ohmmeter this method is time-consuming but effective for custom cables and (2) Commercial Automated Cable Tester Boxes this method is fast, but to test custom cables often requires pre-programmed configuration files, and cables used on spacecraft are often uniquely designed for specific purposes. The idea is to develop a semi-automatic continuity tester that reduces human effort in cable testing, speeds up the electrical integration process, and ensures system safety. The JPL-Cable Tester Box is developed to check every single possible electrical connection in a cable in parallel. This system indicates connectivity through LED (light emitting diode) circuits. Users can choose to test any pin/shell (test node) with a single push of a button, and any other nodes that are shorted to the test node, even if they are in the same connector, will light up with the test node. The JPL-Cable Tester Boxes offers the following advantages: 1. Easy to use: The architecture is simple enough that it only takes 5 minutes for anyone to learn how operate the Cable Tester Box. No pre-programming and calibration are required, since this box only checks continuity. 2. Fast: The cable tester box checks all the possible electrical connections in parallel at a push of a button. If a cable normally takes half an hour to test, using the Cable Tester Box will improve the speed to as little as 60 seconds to complete. 3. Versatile: Multiple cable tester boxes can be used together. As long as all the boxes share the same electrical potential, any number of connectors can be tested together.

Lee, Jason H.↗

Physics-Based Analysis of Cell Imbalances and Aging in Lithium-Ion Battery Modules and Packs

Lithium-ion battery (LIB) packs are a key solution for grid-scale energy storage, enabling grid resilience and supporting critical infrastructure. LIB modules and packs experience current imbalances and uneven cell aging due to various design and operational factors, and require a battery management system (BMS) to continuously monitor and control. In this context, a physics-based modeling framework for LIB modules and packs (liionpack) was enhanced to identify design and control strategies that minimize current imbalance and improve module/pack operation. Simulations of an 8-cell parallel-connected module demonstrate that reducing current imbalance leads to more uniform cell aging and improved module/pack-level degradation predictions. The analysis shows that current imbalance are affected by the electrical resistances. Terminal location significantly affects imbalance, with opposite-end terminal connections at intermediate branches minimizing the imbalance, and the pack circuit construction influences the accuracy of physics-based analysis at the pack scale. This framework enables design optimization of modules and packs through a fast and easy evaluation of pack performance and aging, and supports the development of aging-informed balancing strategies compatible with BMS implementation. Thereby, offering practical pathways to improve reliability and cycle life predictions in large-scale battery energy storage systems.

Ayalasomayajula, Surya Mitra [Oak Ridge National L↗

Transition to Uranium-Based Fast Reactor Fuel Cycle Options

An Evaluation and Screening (E and S) study of nuclear fuel cycle options was recently conducted for the U.S. Department of Energy to identify promising fuel cycle options with the potential for achieving substantial improvements compared to the current nuclear fuel cycle in the U.S. This study considered the entire fuel cycle, i.e., the complete nuclear energy system from mining to disposal including both once-through and recycle fuel cycles. The E and S study considered performance at steady-state when evaluating the potential benefits and challenges to achieving that eventual end state. Based on the steady-state findings from the E and S, a set of four fuel cycle options (FCOs) were identified as most promising, in terms of offering the most benefits compared to the current cycle. These FCOs have natural uranium (or existing stocks of uranium such as depleted uranium) as the makeup feed sent to the fast reactor (FR) fleet combined with two dimensions. The first dimension is whether the FR is a single-stage (produces just enough fuel resources to sustain operation and growth of the FR fleet) or a two-stage (produces additional fuel resources to also sustain a companion fleet of thermal reactors) fuel cycle. In all four cases, all of the uranium is continuously recycled. The second dimension is whether only the plutonium is co-extracted and recycled with the uranium (with minor actinides disposed as waste) or all transuranic elements are co-extracted and recycled. The four most promising options are: 1) single-stage FR recycling of U/Pu (EG23), 2) recycling of U/TRU in single-stage FR (EG24), 3) recycling of U/Pu in two-stage FR/thermal reactors (EG29), and 4) recycling of U/TRU in two-stage FR/thermal reactors (EG30). (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Development of a new ion mobility time-of-flight mass spectrometer

Complex samples require multidimensional measurements with high resolution for full characterization of biological and environmental systems. To address this challenge, we developed a drift tube-based ion mobility spectrometry-Orbitrap mass spectrometry (IMS-Orbitrap MS) platform. To circumvent the timing difference between the fast IMS separation and the slow Orbitrap MS acquisition, we utilized a dual gate and pseudorandom sequence to multiplex ions into the drift tube and Orbitrap. The instrument was designed to operate in signal averaging (SA), single multiplexing (SM) and double multiplexing (DM) IMS modes to fully optimize the signal-to-ratio of the measurements. For the SM measurements, a previously developed algorithm was used to reconstruct the IMS data, while a new algorithm was developed for the DM analyses. The new algorithm is a two-step process that first recovers the SM data from the encoded DM data and then decoded the SM data. The algorithm also performs multiple refining procedures in order to minimize the demultiplexing artifacts traditionally observed in such scheme. The new IMS-Orbitrap MS platform was demonstrated for the analysis of proteomic and petroleum samples, where the integration of IMS and high mass resolution proved essential for accurate assignment of molecular formulae.

47 OTHER INSTRUMENTATION↗

Improved Fast Randomized Iteration Approach to Full Configuration Interaction

In this work, we present three modifications to our recently introduced fast randomized iteration method for full configuration interaction (FCI-FRI) and investigate their effects on the method’s performance for Ne, H 2 O, and N 2 . The initiator approximation, originally developed for full configuration interaction quantum Monte Carlo, significantly reduces statistical error in FCI-FRI when few samples are used in compression operations, enabling its application to larger chemical systems. The semistochastic extension, which involves exactly preserving a fixed subset of elements in each compression, improves statistical efficiency in some cases but reduces it in others. We also developed a new approach to sampling excitations that yields consistent improvements in statistical efficiency and reductions in computational cost. We discuss possible strategies based on our findings for improving the performance of stochastic quantum chemistry methods more generally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simulation of He{sup +} induced afterpulses in PMTs

We report on a Monte Carlo simulation study of afterpulses due to trace gases in EMI 9235QA photomultipliers that are widely used in many luminescence detection systems operating in single photon counting mode. The numerical simulation takes into account the nonuniform electric field distribution and processes including elastic scattering: e + He → e + He, excitation: e + He → e + He{sup ∗}, ionization: e + He → 2e + He{sup +}, elastic scattering: He{sup +} + He → He{sup +} + He, charge transfer: He{sup +} + He → He{sub f} + He{sup +} (He{sub f} indicates a fast neutral) and elastic scattering: He{sub f} + He → He{sub f} + He{sub (f)}. The simulated and the measured time of flight distributions agree well. In addition, the above simulated processes demonstrate mechanisms of the observed series of pulses brought about by a single helium atom ionization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗