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All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Computational Materials Science and Chemistry: Accelerating Discovery and Innovation through Simulation-Based Engineering and Science

This report is based on a SC Workshop on Computational Materials Science and Chemistry for Innovation on July 26-27, 2010, to assess the potential of state-of-the-art computer simulations to accelerate understanding and discovery in materials science and chemistry, with a focus on potential impacts in energy technologies and innovation. The urgent demand for new energy technologies has greatly exceeded the capabilities of today's materials and chemical processes. To convert sunlight to fuel, efficiently store energy, or enable a new generation of energy production and utilization technologies requires the development of new materials and processes of unprecedented functionality and performance. New materials and processes are critical pacing elements for progress in advanced energy systems and virtually all industrial technologies. Over the past two decades, the United States has developed and deployed the world's most powerful collection of tools for the synthesis, processing, characterization, and simulation and modeling of materials and chemical systems at the nanoscale, dimensions of a few atoms to a few hundred atoms across. These tools, which include world-leading x-ray and neutron sources, nanoscale science facilities, and high-performance computers, provide an unprecedented view of the atomic-scale structure and dynamics of materials and the molecular-scale basis of chemical processes. For the first time in history, we are able to synthesize, characterize, and model materials and chemical behavior at the length scale where this behavior is controlled. This ability is transformational for the discovery process and, as a result, confers a significant competitive advantage. Perhaps the most spectacular increase in capability has been demonstrated in high performance computing. Over the past decade, computational power has increased by a factor of a million due to advances in hardware and software. This rate of improvement, which shows no sign of abating, has enabled the development of computer simulations and models of unprecedented fidelity. We are at the threshold of a new era where the integrated synthesis, characterization, and modeling of complex materials and chemical processes will transform our ability to understand and design new materials and chemistries with predictive power. In turn, this predictive capability will transform technological innovation by accelerating the development and deployment of new materials and processes in products and manufacturing. Harnessing the potential of computational science and engineering for the discovery and development of materials and chemical processes is essential to maintaining leadership in these foundational fields that underpin energy technologies and industrial competitiveness. Capitalizing on the opportunities presented by simulation-based engineering and science in materials and chemistry will require an integration of experimental capabilities with theoretical and computational modeling; the development of a robust and sustainable infrastructure to support the development and deployment of advanced computational models; and the assembly of a community of scientists and engineers to implement this integration and infrastructure. This community must extend to industry, where incorporating predictive materials science and chemistry into design tools can accelerate the product development cycle and drive economic competitiveness. The confluence of new theories, new materials synthesis capabilities, and new computer platforms has created an unprecedented opportunity to implement a "materials-by-design" paradigm with wide-ranging benefits in technological innovation and scientific discovery. The Workshop on Computational Materials Science and Chemistry for Innovation was convened in Bethesda, Maryland, on July 26-27, 2010. Sponsored by the Department of Energy (DOE) Offices of Advanced Scientific Computing Research and Basic Energy Sciences, the workshop brought together 160 experts in materials science, chemistry, and computational science representing more than 65 universities, laboratories, and industries, and four agencies. The workshop examined seven foundational challenge areas in materials science and chemistry: materials for extreme conditions, self-assembly, light harvesting, chemical reactions, designer fluids, thin films and interfaces, and electronic structure. Each of these challenge areas is critical to the development of advanced energy systems, and each can be accelerated by the integrated application of predictive capability with theory and experiment. The workshop concluded that emerging capabilities in predictive modeling and simulation have the potential to revolutionize the development of new materials and chemical processes. Coupled with world-leading materials characterization and nanoscale science facilities, this predictive capability provides the foundation for an innovation ecosystem that can accelerate the discovery, development, and deployment of new technologies, including advanced energy systems. Delivering on the promise of this innovation ecosystem requires the following: Integration of synthesis, processing, characterization, theory, and simulation and modeling. Many of the newly established Energy Frontier Research Centers and Energy Hubs are exploiting this integration. Achieving/strengthening predictive capability in foundational challenge areas. Predictive capability in the seven foundational challenge areas described in this report is critical to the development of advanced energy technologies. Developing validated computational approaches that span vast differences in time and length scales. This fundamental computational challenge crosscuts all of the foundational challenge areas. Similarly challenging is coupling of analytical data from multiple instruments and techniques that are required to link these length and time scales. Experimental validation and quantification of uncertainty in simulation and modeling. Uncertainty quantification becomes increasingly challenging as simulations become more complex. Robust and sustainable computational infrastructure, including software and applications. For modeling and simulation, software equals infrastructure. To validate the computational tools, software is critical infrastructure that effectively translates huge arrays of experimental data into useful scientific understanding. An integrated approach for managing this infrastructure is essential. Efficient transfer and incorporation of simulation-based engineering and science in industry. Strategies for bridging the gap between research and industrial applications and for widespread industry adoption of integrated computational materials engineering are needed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Dense plasma focus (DPF) accelerated non radio isotopic radiological source

A non-radio-isotopic radiological source using a dense plasma focus (DPF) to produce an intense z-pinch plasma from a gas, such as helium, and which accelerates charged particles, such as generated from the gas or injected from an external source, into a target positioned along an acceleration axis and of a type known to emit ionizing radiation when impinged by the type of accelerated charged particles. In a preferred embodiment, helium gas is used to produce a DPF-accelerated He2+ ion beam to a beryllium target, to produce neutron emission having a similar energy spectrum as a radio-isotopic AmBe neutron source. Furthermore, multiple DPFs may be stacked to provide staged acceleration of charged particles for enhancing energy, tunability, and control of the source.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Low Energy Accelerator Facility Upgrade and test

The Low Energy Accelerator Facility (LEAF) contains a low-energy linac with high average beam power, which was designed and built in the late 1960’s primarily for radiation-chemistry experiments. The maximum beam energy in that configuration was 21 MeV. Although, the installation is old, it is still reliable. The accelerator was repurposed for development of accelerator-based technologies for the production of 99Mo with funding provided by the National Nuclear Security Administration’s Office of Material Management and Minimization (M3 ). An extensive scientific program on the production of radioactive isotopes demanded an upgrade of the accelerator to fit the experimental requirements. Several possible LEAF upgrades were proposed to increase the electron beam energy. The final design proposed the replacement of the old accelerating structures with new ones. In 2011-2012, the new structures were manufactured, installed, and tested with the beam energy up to 50 MeV and average beam power up to 20 kW. LEAF now is an attractive installation for performing research into medical isotope production.

Alford, K.↗
DOE OSTI2021

Compact, high-efficiency accelerators driven by low-voltage solid-state amplifiers

A compact particle accelerator can include two or more cavities disposed along an axis of the particle accelerator, each of which is coupled to two or more drivers. The accelerator can also include a power supply coupled to the two or more drivers such that a particle beam traveling along the axis is accelerated. The power supply can be an interface with a commercial power outlet, battery power, or a combination thereof depending upon the use case. Example configurations of the accelerator include hand held or mobile devices that are capable of delivering up to and greater than a 1 MeV electron beam.

Nguyen, Dinh Cong↗
DOE OSTI2014

Development of SRF monolayer/multilayer thin film materials to increase the performance of SRF accelerating structures beyond bulk Nb

The minimization of cost and energy consumption of future particle accelerators, both large and small, depends upon the development of new materials for the active surfaces of superconducting RF (SRF) accelerating structures. SRF properties are inherently a surface phenomenon as the RF only penetrates the London penetration depth ?, typically between 20 and 400 nm depending on the material. The greatest potential for dramatic new performance capabilities lies with methods and materials which deliberately produce the sub-micron-thick critical surface layer in a controlled way. Thus, two opportunities arise for the use of SRF thin ?lms as single layer superconductor or multilayer Superconductor-Insulator-Superconductor structures: SRF properties are inherently a surface phenomenon, and when other technological processes are optimized, the fundamental limit to the maximum supportable RF ?eld amplitude is understood to be the ?eld at which the magnetic ?ux ?rst penetrates into the surface, Hc1. Niobium, the material most exploited for SRF accelerator applications, has Hc1 ? 170 mT, which yields a maximum acceler?ating gradient of less than 50 MV/m. Thus, new materials must be investigated to push this limit to the desired range. Although many compounds have shown higher critical superconducting transition temperature (Tc), their critical ?eld (Hc1) is lower than niobium. To circumvent this issue, a Super?conductor/Insulator/Superconductor (S-I-S) multilayer ?lms approach has been proposed to achieve performance in excess of that of bulk Nb. In this system, the critical ?eld is enhanced and the ?uxon penetration delayed by using, on top of the Nb surface, a superposition of superconductor layers, each less than a penetration depth in thickness, separated by a dielectric layer a few nanometers thick. For bulk type-II superconducting materials, vortex entry occurs at surface magnetic ?eld Hc1. The key aspect of Gurevich's analysis is the recognition that vortex entry is inhibited if the surface layer thick?ness (d) of the superconductor is less than the penetration depth, ?. The overlayer provides magnetic screening of the underlying Nb with the attenuation factor exp(d/ ?0). The Nb surface can remain in the Meissner state at ?elds much higher than in bulk due to the increase of the parallel Hc1 in a thin ?lm. This could potentially lead to further improvement in RF cavity performance using the bene?t of the higher-Tc superconductors without being limited by their lower Hc1. Niobium on copper (Nb/Cu) technology for superconducting cavities has proven over the years to be a viable alternative to bulk niobium. However the deposition techniques used for cavities, mainly magnetron sputtering, have not yielded, so far, SRF surfaces suitable for high ?eld performance. High quality ?lms can be grown using methods of energetic condensation, such as Electron Cy?clotron Resonance (ECR) Nb ion source in UHV and High Power Impulse Magnetron Sputtering (HiP?IMS) with energetic ions only and neutral atoms signi?cantly blocked. The main advantages of these techniques are the production of higher ?ux of ions with controllable incident angle and kinetic energy and the absence of macroparticle production. The project in general, is focusing onto understanding the physics underlying the RF superconduc?tivity in layered structures and developing SRF material ?lms suitable as substrate and S-I-S multilayer structures. In ?rst hand, the primary focus is to understand the physics governing the relationship be?tween growth conditions, ?lm microstructure and RF performance for SRF materials produced by energetic condensation. The deposition by energetic condensation in UHV via ECR and HiPIMS are studied for Nb and B1 superconducting compounds on substrates with various lattice match and sur?face conditions (in-situ etching, high energy assisted atomic annealing, deposition temperature). The general energy-temperature zone model developed by André Anders is explored to de?ne the optimized coating conditions for ?lms suitable for single layer and multilayer SRF structures. The contribution of both the ion incident energy and the substrate lattice energy on the nucleation of the SRF materials considered, and some insulating materials (AlN and MgO) and the in?uence of the coating conditions on the resulting materials, superconducting and/or RF properties will be investigated. Attention is be given to minimize the residual stress (intrinsic and thermal) with the choice of lattice match between the ?lm and substrate materials, the coating temperature, and to evaluate the coating methods used in terms of conformality for 3D structures. In second hand, as a proof of concept, the coating condi?tions developed will be used to prepare multi-layer superconductor/insulator/superconductor (S-I-S) ?lms having high quality factor and high gradient breakthrough potential. A thick Nb ?lm (> 1µm) could be used as a substrate. Particular attention is given to the interface between superconducting and insulator ?lms. For this work, various material analyses techniques have been used to character?ize each type of thin ?lm material: electron backscatter di?raction (EBSD), X-ray di?raction (XRD), high-resolution scanning electron microscopy (SEM), transmission electron microscopy (TEM), stylus and AFM pro?lometry, secondary ion mass spectroscopy (SIMS), scanning auger microscopy (SAM). Superconducting and RF measurements are also performed (RRR, Tc, and low-temperature SRF sur- face impedance, SQUID-magnetometry). The insight gained from this project on the physics involved in RF superconductivity of layered structures open the way to enable major reductions in both capital and operating costs associated with future particle accelerators across the spectrum from low foot?print compact machines to energy frontier facilities. Realization of quality thin ?lm SRF cavities may dramatically change the cost structure of acceleration systems and signi?cantly improve performance consistency and reliability.

VALENTE-FELICIANO, Anne-Marie↗
DOE OSTI2020

An Accelerated Creep Testing Program For Nickel Based Superalloys

In order to improve the energy production within the United States, new materials are developed with the goal of increased functionality. These materials are required to perform at extreme pressures and temperatures (up to and beyond 200MPa and 650â??) as well as be sustainable beyond 105 hours. Before developing these materials into components for power generation, mechanical testing is required to better understand the behavior of these materials at various loads and temperatures. The longest of these tests is the conventional creep test which is a real time test that can beyond 105 hours depending on service conditions. Hundreds of specimens must be tested before being approved for use in power generation, but it is extremely difficult to rapidly qualify when each material is required to exceed 105 hours making testing through conventional means unfeasible. While others have designed accelerated testing methods to help qualify materials, many of these experiments use an empirical approach that requires test data to fit already existing creep data. In this study, an accelerated creep test called the stepped isostress method (SSM) is then applied to wrought Inconel 718 (IN 718) specimens. A test matrix is designed using deformation mechanism maps, time-temperature-transformation diagrams, and time-temperature-precipitation diagrams, in order to ensure that microstructurally, the accelerated creep tests fail similarly to the conventional creep tests. The data from the stepped isostress method is then applied to the McVetty and Sin-hyperbolic (Sinh) constitutive models in order to generate a creep master curve. The results from the model fits are then compared to the conventional creep data done from experiments as well as from the NIMS database for Inconel 718. Optical microscopy and scanning electron microscopy are used to compare the evolution of the microstructure from the conventional creep and accelerated creep tests. It is found that using the Sinh model on the accelerated creep data provides reasonable creep rupture predictions when compared to the scatter band of creep tests. It was also observed that the microstructural evolution between the SSM experiments and creep tests were very similar in terms of the volume fraction of precipitates and phases.

Mach, Robert↗
DOE OSTI2023

Study of Microphonic Effects on the C100 Cryomodule for High Energy Electron Beam Accelerators

The Continuous Electron Beam Accelerator Facility (CEBAF) at Thomas Jefferson National Laboratory (JLab) is a particle accelerator which can accelerate an electron beam to relativistic speeds and apply the beam onto target samples. The C100 superconducting radio frequency (SRF) cavity is the primary accelerating structure of the C100 cryomodule, one of the many cryomodules which compose the CEBAF linear accelerator. SRF cavities are particularly sensitive to internal and external vibrations that can result in a phenomenon called microphonics which degrade the operational stability of a cryomodule. The purpose of this thesis is to investigate the significance of mechanical disturbances on the electromagnetic resonant frequency of a C100 SRF cavity. Knowledge of the mechanical resonance of the cavities and cryomodule sheds light into how these disturbances are most easily realized as deformation which causes radio frequency (RF) detuning. Three studies were conducted: the development and hammer test calibration of a Finite Element Analysis (FEA) model of a C100 cavity, the development and hammer test calibration of an FEA model of a C100 cavity string, and the hammer test of the C100-10R cryomodule at the Cryomodule Test Facility (CMTF). The cavity FEA model was found to accurately predict two modes found in two real cavities in a simply supported configuration. The cavity string FEA model leveraged the calibrated cavity FEA model but was not found to accurately predict the modal behavior of a real cavity string. Even so, the modal behavior of the cavity string inside the C100-10R cryomodule was captured during a hammer test while it was partially assembled. Finally, the C100-10R cryomodule was placed in the CMTF to study RF detuning. The RF detuning spectra during hammer hits and background noise was captured. The results of the hammer testing indicate two strong peaks at low frequencies (9-10 Hz and 22-23 Hz). These two frequencies were found to be nearly coincident to four instances of mechanical resonance found during the hammer testing done on the partially-assembled C100-10R. Because of this, these two modes are believed to contribute to RF detuning of the cryomodule. This test event also included the testing of the effectiveness of a configuration of BNNT canisters designed to act as dampers. While these tests show promising results, the lurking variables render these tests somewhat inconclusive.

Hull, Caleb James↗
DOE OSTI2020

Accelerated Aging Humidity Chamber for Nuclear Grade HEPA Filter Media

A unique accelerated aging humidity chamber for simulating the natural aging process of nuclear grade high efficiency particulate air (HEPA) filter media is being designed, implemented, and tested. The nuclear industry currently lacks information regarding the shelf life and service life of HEPA filter media. The Department of Energy recommends disposing of HEPA filters 10 years after the manufacture date for filters operated under dry conditions. Studies have shown the tensile strength and water repellency of HEPA filter media diminish with age. The chamber's principal function is to sustain an elevated relative humidity condition for an extended duration specified by the Arrhenius aging model. To accomplish this, various design parameters were established: (1) consistently achieve uniform humidity conditions within the chamber to equally expose media sheets, (2) ensure the chamber is sufficiently sealed to mitigate the uncontrolled infiltration of air, (3) confidently secure the media sheets to avert the introduction of unnecessary stressing/creasing, (4) fabricate the chamber from clear polycarbonate material to allow inspection of the media sheets, (5) provide a safe and ergonomic design for personnel, (6) ensure the chamber design is replicable and relatively easy to fabricate/assemble. A humidity source, fan, PID controller, humidity and temperature transmitters, and data loggers are required for proper operation and control of the chamber. The humidity source must accommodate target values up to 95% relative humidity throughout the chamber. The three humidity and temperature transmitters are strategically spaced throughout the chamber to ensure uniform conditions. The 10 cubic feet per minute (CFM) fan selected intends to accomplish the desired air change rate inside the chamber of approximately 20 air changes per hour (ACH). The 2 plenums on the upper and lower portions of the chamber utilize a perforated design to uniformly distribute air, promote air mixing, and control the air velocity entering the chamber. Industrial blueprint hanging clamps are being retrofitted to be seated within the chamber drawers and firmly secure the nuclear grade filter media. The aged media will be evaluated using autopsy methodology, and the results obtained intend to help clarify the useful life of nuclear grade HEPA filters. Nuclear grade high efficiency particulate air (HEPA) filters are defined as disposable, extended-media, dry-type filters with a rigid casing enclosing the full depth of the pleats and have a minimum particle removal efficiency of 99.97%. [1] - HEPA filters are constantly exposed to stressors and subsequently have been shown to degrade as the filter ages. Properties such as tensile strength and water repellency, along with others, are negatively impacted. [2] - Due to the scarcity of naturally aged HEPA filters available, it is crucial to develop accelerated aging methods which effectively mimic the natural degradation effects. - After accelerated aging, the filters are subject to testing in the Axial Flow Large Scale Test Stand (ALSTS) and other analysis techniques such as the same qualification tests performed directly after being manufactured. - Quality data is necessary for future decisions regarding the lifetime of nuclear grade HEPA filters. - The objective is to develop a prototype accelerated aging humidity chamber for nuclear grade HEPA filter media. The chamber should expose the media to commonly occurring stressors to expedite the degradation process caused by aging. PID yields reliable and reproducible results: - CFD model correlates well with actual performance; - Further analysis is needed to complete characterization; - Future work for the chamber is still to be completed. The data shown in Figure 5 and Table 1 indicate the system is functioning as designed. As can be determined from the system response evaluation in Table 1, the PID controller is yielding reliable and reproducible results at each set point. As the set point increases, the time constant and 20% settling time increase accordingly. From the results in Table 1, it stands to reason that the CFD model correlates well with the actual performance of the system. Each system response parameter for the 90%RH* CFD model is slightly lower than the parameters collected from the physical model tested at an equivalent set point. This is to be expected considering the inlet in the CFD model is a constant supply of water vapor, whereas the physical model uses a PID controller to monitor the amount of water vapor needed and reacts accordingly. More analysis is still to be done on the prototype chamber. A pressure test will be conducted in order to determine the hourly leak rate of the chamber. This test will involve constant air flow into the chamber until the desired pressure is reached. A uniformity test will also be conducted in order to ensure each filter medium is being exposed to equivalent relative humidity levels. This test will involve an array of humidity meters strategically oriented inside the chamber to record any possible gradients. Future work for the chamber includes dehumidification abilities, tests while fully loaded with filters, and temperature control. Once completed, the autopsy team at Institute of Clean Energy Technology will conduct necessary accelerated aging studies as needed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Implementation of CMFD Acceleration Scheme in PROTEUS-MOC

The PROTEUS-MOC code is a three-dimensional (3D) transport code, which is being developed at Argonne National Laboratory under the DOE-NE's Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. It provides a fully consistent 3D discretization of the transport equation by combining the two-dimensional (2D) method of characteristics (MOC) for the planar direction with the discontinuous Galerkin method for the treatment of the axial variable. PROTEUS-MOC uses the unstructured finite element method (FEM) and thus allows the explicit representation of any extruded geometries. It also has a capability of massively parallel computation in energy group, angle, plane, and space using a top-level GMRES linear algebra solver. For parallel computation in space, it uses an unstructured domain decomposition by adapting METIS. The computational burden for direct heterogeneous core calculations based on unstructured geometries is excessive for practical reactor problems, and hence it is essential to implement an efficient acceleration scheme in PROTEUS-MOC. Recently, the coarse mesh finite difference (CMFD) method, which was originally applied to the nodal diffusion methods, has been successfully applied to the MOC transport solvers, resulting in a remarkable reduction in the number of fission source iterations. In addition, a modified CMFD method has been developed to overcome the limitation of the conventional CMFD that is applicable only to neutronics solvers with a conservative discretization. This CMFD method was derived to be consistent with the FEM, which is based on a nonconservative discretization. In this method, the neutron balance in each coarse mesh is enforced by introducing a pseudo absorption cross section (PAXS), and the well-established alternating solution process of CMFD and transport calculations is employed to accelerate source convergence. This modified CMFD acceleration scheme was adopted in PROTEUS-MOC to accelerate the fission source iteration. Pin-cell and assembly based CMFD schemes have been implemented by defining individual pin cells or assemblies as a coarse mesh. For this, an algorithm to map the finite elements to coarse meshes was developed, and the routines were developed to determine the coupling coefficients and PAXS of the CMFD equations from the transport solution. Preliminary performance tests were carried out using the C5G7 benchmark problem. This paper presents the main features of this CMFD acceleration scheme and the preliminary test results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Analysis of cell-based diffusion acceleration for the slice balance approach

In this work, we perform analysis on the use of cell-based diffusion acceleration methodologies to accelerate the convergence of transport solutions discretized with the slice balance approach (SBA) on unstructured polygonal grids.We investigated both linear diffusion synthetic acceleration (DSA) and non linear diffusion acceleration (NDA), including its partial-current variant (pNDA). DSA and NDA were both shown to diverge for intermediate ranges of mesh optical thicknesses. However, pNDA and Krylov methods like GMRES and Broyden stabilized the acceleration schemes, including problems with degenerate cells formed by mesh refinement. (author)

42 ENGINEERING↗
DOE OSTI2026

PIP-II Particle Accelerator Project

The PIP-II project is an essential upgrade of Fermilab’s particle accelerator complex. Groundbreaking occurred in March 2019. The upgrade will enable Fermilab’s accelerators to generate an unprecedented stream of neutrinos—subtle, subatomic particles that could hold the key to understanding the universe’s evolution—by creating the world’s most intense high-energy neutrino beams. This capability positions Fermilab to be the world leader in accelerator-based neutrino research. It enables the scientific program for the international, Fermilab-hosted Deep Underground Neutrino Experiment (DUNE) and Long-Baseline Neutrino Facility (LBNF). The key to PIP-II is power. When the PIP-II project is complete, Fermilab will be able to generate proton beams greater than 1 megawatt—60 percent higher than current capabilities. These powerful beams of protons will in turn create intense beams of neutrinos. Future PIP-II upgrades will triple the lab’s current beam power. PIP-II’s high-intensity proton beams will provide a flexible platform for the long-term future of the Fermilab accelerator complex and the U.S. accelerator-based particle physics program.

Fermilab, Fermilab↗
DOE OSTI2019

On Reproducibility of Collective Acceleration of Protons in a Plasma-Anode Diode System

The article deals with the investigation of the conditions of reproducibility of the results of collective acceleration of protons in a high-current relativistic electron beam of nanosecond duration passing through a plasma bunch. A quantitative criterion of reproducibility in the system of an anode with a dielectric insert and a cylindrical cathode was the neutron yield in a nuclear reaction with the threshold about 2 MeV, which was measured by a silver-activated detector after each operation of the accelerator. Generation of an azimuthally-homogeneous electron beam and plasma in the area of the dielectric insert on the anode and the use of lenses in the region of electron beam drift resulted in the stabilization of the accelerating process. After optimization, the neutron yield scatter in a series of 30 pulses was at the level ±5% of the average value, which corresponded to the accelerated proton energy scatter ±3%. The conditions of best reproducibility coincided with those where the main group of protons reached their maximum values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Linear Accelerator-Based Intensity-Modulated Total Marrow Irradiation Technique for Treatment of Hematologic Malignancies: A Dosimetric Feasibility Study

Purpose: To investigate the dosimetric feasibility of linear accelerator-based intensity-modulated total marrow irradiation (IM-TMI) in patients with hematologic malignancies. Methods and Materials: Linear accelerator-based IM-TMI treatment planning was performed for 9 patients using the Eclipse treatment planning system. The planning target volume (PTV) consisted of all the bones in the body from the head to the mid-femur, except for the forearms and hands. Organs at risk (OAR) to be spared included the lungs, heart, liver, kidneys, brain, eyes, oral cavity, and bowel and were contoured by a physician on the axial computed tomography images. The three-isocenter technique previously developed by our group was used for treatment planning. We developed and used a common dose-volume objective method to reduce the planning time and planner subjectivity in the treatment planning process. Results: A 95% PTV coverage with the 99% of the prescribed dose of 12 Gy was achieved for all nine patients. The average dose reduction in OAR ranged from 19% for the lungs to 68% for the lenses. The common dose-volume objective method decreased the planning time by an average of 35% and reduced the inter- and intra- planner subjectivity. Conclusion: The results from the present study suggest that the linear accelerator-based IM-TMI technique is clinically feasible. We have demonstrated that linear accelerator-based IM-TMI plans with good PTV coverage and improved OAR sparing can be obtained within a clinically reasonable time using the common dose-volume objective method proposed in the present study.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

Toward laser ablation Accelerator Mass Spectrometry of actinides

A project to measure neutron capture cross sections of a number of actinides in a reactor environment by Accelerator Mass Spectrometry (AMS) at the ATLAS facility of Argonne National Laboratory is underway. This project will require the precise and accurate measurement of produced actinide isotopes in many (>30) samples irradiated in the Advanced Test Reactor at Idaho National Laboratory with neutron fluxes having different energy distributions. The AMS technique at ATLAS is based on production of highlycharged positive ions in an electron cyclotron resonance (ECR) ion source followed by acceleration in the ATLAS linac and mass-to-charge (m/q) measurement at the focus of the Fragment Mass Analyzer. Laser ablation was selected as the method of feeding the actinide material into the ion source because we expect it will have higher efficiency and lower chamber contamination than either the oven or sputtering techniques, because of a much narrower angular distribution of emitted material. In addition, a new multi-sample holder/changer to allow quick change between samples and a computer-controlled routine allowing fast tuning of the accelerator for different beams, are being developed. An initial test run studying backgrounds, detector response, and accelerator scaling repeatability was conducted in December 2010. The project design, schedule, and results of the initial test run to study backgrounds are discussed.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2019

Positive-ion accelerator mass spectrometry at ATLAS: Peaks and pits

Electron Cyclotron Resonance (ECR) ion sources and the production of multiple-charge positive ions with high efficiency in combination with a heavy-ion accelerator have opened the way to an alternative and complementary version of accelerator mass spectrometry (AMS). A notable strength of positive-ion over traditional AMS is the capability of ultra-high sensitivity detection of radioactive isotopes of noble gases, in particular 37 Ar (t 1/2 = 35 d) and 39 Ar (269 y). The complete dissociation of molecular ions in the ECR and in particular of hydride ions of neighboring stable isotopes results in superior isotopic separation. However, the use of high charge states, necessary for acceleration to high energy, entails the existence of severe transmission degeneracies with stable ions having nearly equal mass-to-charge ratios, in addition to that of stable isobaric ions. Separation or discrimination of these parasitic ions require powerful and sophisticated dispersive systems at detection stage. In conclusion, we review here work performed and in progress at the ATLAS facility of Argonne National Laboratory (ANL) where an ECR ion source, a Radio-Frequency Quadrupole (RFQ), a superconducting linear accelerator and a Gas-Filled Magnet (GFM) are used as an AMS setup.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Development of an accelerator-based neutron source to prototype Mo-99 production, Part II: A liquid LBE loop under a high vacuum

To provide US domestic supply of Mo-99 without using high-enriched uranium (HEU), a subcritical uranium target assembly (UTA) is irradiated by an accelerator-based neutron source to create Mo-99 through fission. Part I of this work discusses the design of a liquid lead–bismuth eutectic (LBE) windowless target for an accelerator-based neutron source development. Part II discusses how to couple this windowless target to an accelerator operating at an ultra-high vacuum and the subcritical UTA cooled by water at room temperature. Due to the windowless design of the target, the liquid LBE flow shares an ultra-high vacuum (<1.3 × 10 -7 Pa or 10 -9 Torr) space with the accelerator. As a result of this shared vacuum space, the LBE system must operate at a high vacuum (10 -3 ~10 -6 Pa or 10 -5 ~10 -8 Torr). A magnetic rotary motion feedthrough unit utilizes magnetic fluid to allow rotation of the pump while maintaining a high vacuum environment. Prior to testing the LBE system under vacuum, a pump curve measurement is performed to estimate flowrate in the system. This measurement also generates data on orifice loss coefficients, which are compared to correlations in literature. The second experiment investigates vacuum level in the LBE system during operation. High vacuum is maintained (10 -3 ~10 -5 Pa or 10 -5 ~10 -7 Torr) during system operation, and a residual gas analyzer (RGA) scan shows that partial pressures of residual gases in the LBE system lower over the duration of LBE system operations. The third experiment investigates the gravity driven liquid LBE flowing out of the target chamber in the return line, which is partially full. If the liquid LBE is not drained quickly enough, flooding in the target chamber could occur. The coefficient n in the Manning equation is found to be around 0.008 s/m 1/3 . The last experiment performed is a demonstration that a vacuum jacket could provide sufficient thermal insulation to allow coupling between 300 °C LBE loop and a water tank at room temperature. In conclusion, the results from these experiments have influenced the development of the neutron source for the future commercial scale Mo-99 production system.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Proposed new accelerator design for homeland security x-ray applications

Two goals for security scanning of cargo and freight are the ability to determine the type of material that is being imaged, and to do so at low radiation dose. One commonly used technique to determine the effective Z of the cargo is dual-energy imaging, i.e. imaging with different x-ray energy spectra. Another technique uses the fact that the transmitted x-ray spectrum itself also depends on the effective Z. Spectroscopy is difficult because the energy of individual x rays needs to be measured in a very high count-rate environment. Typical accelerators for security applications offer large but short bursts of x-rays, suitable for current-mode integrated imaging. In order to perform x-ray spectroscopy, a new accelerator design is desired that has the following features: 1) increased duty factor in order to spread out the arrival of x-rays at the detector array over time; 2) x-ray intensity modulation from one delivered pulse to the next by adjusting the accelerator electron beam instantaneous current so as to deliver adequate signal without saturating the spectroscopic detector; and 3) the capability to direct the (forward peaked) x-ray intensity towards high-attenuation areas in the cargo (“fan-beam-steering”). Current sources are capable of 0.1% duty factor, although usually they are operated at significantly lower duty factors (~0.04%), but duty factors in the range 0.4-1.0% are desired. The higher duty factor can be accomplished, e.g., by moving from 300 pulses per second (pps) to 1000 pps and/or increasing the pulse duration from a typical 4 μs to 10 μs. This paper describes initial R&D to examine cost effective modifications that could be performed on a typical accelerator for these purposes, as well as R&D for fan-beam steering.

43 PARTICLE ACCELERATORS↗
DOE OSTI2010

Particle Accelerator Applications: Ion and Electron Irradiation in Materials Science, Biology and Medicine

Although the developments of particle accelerators are devoted to basic study of matter constituents, since the beginning these machines have been applied with different purposes in many areas also. Today particle accelerators are essential instruments for science and technology. This work presents an overview of the main application for direct particle irradiation with accelerator in material science, biology and medicine. They are used for material synthesis by ion implantation and charged particle irradiation; to make coatings and micromachining; to characterize broad kind of samples by ion beam analysis techniques; as mass spectrometers for atomic isotopes determination. In biomedicine the accelerators are applied for the study of effects by charged particles on cells. In medicine the radiotherapy by electron irradiation is widely used, while hadrontherapy is still under development. Also, they are necessary for short life radioisotopes production required in radiodiagnostic.

36 MATERIALS SCIENCE↗