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DOE OSTI2025

Reversible Nanocomposite by Programming Amorphous Polymer Conformation Under Nanoconfinement

Nanoconfinements are utilized to program how polymers entangle and disentangle as chain clusters to engineer pseudo bonds with tunable strength, multivalency, and directionality. When amorphous polymers are grafted to nanoparticles that are one magnitude larger in size than individual polymers, programming grafted chain conformations can "synthesize" high-performance nanocomposites with moduli of ≈25GPa and a circular lifecycle without forming and/or breaking chemical bonds. These nanocomposites dissipate external stresses by disentangling and stretching grafted polymers up to ≈98% of their contour length, analogous to that of folded proteins; use both polymers and nanoparticles for load bearing; and exhibit a non-linear dependence on composition throughout the microscopic, nanoscopic, and single-particle levels.

Chen, Tiffany↗
DOE OSTI2021

Intrinsic synaptic plasticity of ferroelectric field effect transistors for online learning

Nanoelectronic devices emulating neuro-synaptic functionalities through their intrinsic physics at low operating energies is imperative toward the realization of brain-like neuromorphic computers. In this work, we leverage the non-linear voltage dependent partial polarization switching of a ferroelectric field effect transistor to mimic plasticity characteristics of biological synapses. Here, we provide experimental measurements of the synaptic characteristics for a 28nm high-k metal gate technology based device and develop an experimentally calibrated device model for large-scale system performance prediction. Decoupled read-write paths, ultra-low programming energies and the possibility of arranging such devices in a cross-point architecture demonstrate the synaptic efficacy of the device. Our hardware-algorithm co-design analysis reveals that the intrinsic plasticity of the ferroelectric devices has potential to enable unsupervised local learning in edge devices with limited training data

42 ENGINEERING↗
DOE OSTI2015

SU-E-T-772: Uncertainties in Treatment Planning for IROC-Houston Proton Phantom QA Program Due to Variable CT Technique and Proton Energy

Purpose: To understand the uncertainties in proton therapy treatment planning for the IROC- Houston proton phantom QA program due to variations in CT technique and proton energy. Methods: A CT phantom used by IROC-H during therapy site visits was scanned using three CT techniques (80, 120, 140kV) with a CT scanner used for proton therapy simulations and irradiated with a passively scattered beam at three energies (140, 200, 250 MeV) to measure, respectively, HU and Relative Linear Stopping Power (RLSP) in order to create HU to RLSP calibration curves for comparison with reference curves used by current proton treatment planning systems. The phantom has proton equivalent materials with a wide variety of HU and RLSPs to allow for the creation of a calibration curve for common tissue equivalent materials. Treatment plans were created for a lung phantom using the various CT technique/ beam energy calibration curves to determine the differences in the dose distributions by performing a gamma analysis. Results: Comparison of the calibration curves created using the phantom materials showed a maximum difference of 12% for a given material between the custom curve and the reference curve currently used by the treatment planning system. The highest differences were a Result of using an 80 kV CT technique and a 250 MeV high proton energy. A comparison of the completed treatment plans will be presented. Conclusion: These results indicate the possibility of differences in proton HU to RLSP calibration curves caused by varying CT technique and proton energy that could manifest as differences in planned and delivered dose distributions, particularly at high proton energies and low kV CT techniques. These differences could Result in discrepancies not accounted for by IROC-Houston and could possibly affect proton institutions’ pass rate when irradiating the proton phantoms.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TH-C-BRC-00: Emerging Technologies in SRS/SBRT Delivery

The delivery techniques for SRS/SBRT have been under rapid developments in recent years, which pose new challenges to medical physicists ranging from planning and quality assurance to imaging and motion management. This educational course will provide a general overview of the latest delivery techniques in SRS/SBRT, and discuss the clinical processes to address the challenges of each technique with special emphasis on dedicated gamma-ray based device, robotic x-band linac-based system and conventional C-arm s-band linac-based SRS systems. (1). Gamma-ray based SRS/SRT: This is the gold standard of intracranial SRS. With the advent of precision imaging guidance and frameless patient positioning capabilities, novel stereoscopic CBCT and automatic dose adaption solution are introduced to the Gamma-ray based SRS for the first time. The first North American system has been approved by the US regulatory for patient treatments in the spring of 2016. (2). Robotic SRS/SBRT system: A number of technological milestones have been developed in the past few years, including variable aperture collimator, sequential optimization technique, and the time reduction technique. Recently, a new robotic model allows the option of a multi-leaf collimator. These technological advances have reduced the treatment time and improved dose conformity significantly and could potentially expand the application of radiosurgery for the treatment of targets not previously suitable for robotic SRS/SBRT or fractionated stereotactic radiotherapy. These technological advances have created new demanding mandates on hardware and patient quality assurance (QA) tasks, as well as the need for updating/educating the physicists in the community on these requirements. (3). Conventional Linac based treatments: Modulated arc therapy (MAT) has gained wide popularities in Linac-based treatments in recent years due to its high delivery efficiency and excellent dose conformities. Recently, MAT has been introduced to deliver highly conformal radiosurgery treatments to multiple targets simultaneously via a single isocenter to replace the conventional multi-iso multi-plan treatments. It becomes important to understand the advantages and limitations of this technique, and the pitfalls for implementing this technique in clinical practice. The planning process of single-iso multi-target MAT will be described, and its plan quality and delivery efficiency will be compared with multi-iso plans. The QA process for verifying such complex plans will be illustrated, and pitfalls in imaging and patient set up will be discussed. Overall, this session will focus on the following areas: 1) Update on the emerging technology in current SRS/SBRT delivery. 2) New developments in treatment planning and Quality Assurance program. 3) Imaging guidance and motion management. Learning Objectives: To understand the SRS/SBRT principles and its clinical applications, and gain knowledge on the emerging technologies in SRS/SBRT. To review planning concepts and useful tips in treatment planning. To learn about the imaging guidance procedures and the quality assurance program in SRS/SBRT. National Institutes of Health, Varian Medical System; L. Ren, The presenter is funded by National Institutes of Health and Varian Medical System.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Miniaturized Magnetoelastic Sensor System

This article describes the design, assembly, and implementation of a hand-held, magnetic-field-based sensor system that can be adapted for a variety of sensing applications. The miniaturized system is based on Chemical Identification by Magneto-Elastic Sensing (ChIMES) technology, which uses three concentric solenoid coils to wirelessly interrogate a sensor body comprised of a response material coupled to a magnetoelastic wire. The response material expands when it encounters a target, imposing mechanical stress on the wire and altering its magnetic permeability. The sensor bodies are passive, requiring no external power source, and they are small, measuring about 15 mm in length and 3.0 mm in diameter. Up to four sensor bodies can be configured as an evenly-spaced linear array. The sensor system operates by applying a low-frequency, current-stabilized, filtered triangle wave to a uniform-density excitation coil to switch the magnetic domains within the wire. Further, the responses from the sensors are picked up by a detection coil as stress-induced changes in the Faraday voltage, and the strong magnetic field induced by the excitation coil in the detection coil is nullified by a cancellation coil reverse-wound in series with the detection coil. The responses of the sensors in an array are separated in time by a linear gradient dc biasing coil. The sensors can be interrogated through metallic and nonmetallic barriers. The signals from the detection coil and the excitation coil are digitized by a pair of bipolar analog-to-digital converters (ADCs). A Raspberry Pi single-board computer (SBC) and associated software perform data acquisition and control all aspects of the sensor system hardware. The program allows the user to select the number of sensors in the array, the type of signal that is being collected, and the number of samples to take. The program also allows for signal processing of the sensor data, such as baseline correction. The program can differentiate sensor peaks from each other and calculate the magnitude of each sensor response with less than 1% error. The data are then displayed along with a graph of the signal.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Dynamically morphing microchannels in liquid crystal elastomer coatings containing disclinations

Liquid crystal elastomers (LCEs) hold a major promise as a versatile material platform for smart soft coatings, since their orientational order can be predesigned to program a desired dynamic profile. In this work, we introduce temperature-responsive dynamic coatings based on LCEs with arrays of singular defects-disclinations that run parallel to the surface. The disclinations form in response to antagonistic patterns of the molecular orientation at the top and bottom surfaces, imposed by the plasmonic mask photoalignment. Upon heating, an initially flat LCE coating develops linear microchannels located above each disclination. The stimulus that causes a non-flat profile of LCE coatings upon heating is the activation force induced by the gradients of molecular orientation around disclinations. To describe the formation of microchannels and their thermal response, we adopt a Frank-Oseen model of disclinations in patterned director field and propose a linear elasticity theory to connect the complex spatially-varying molecular orientation to the displacements of the LCE. The thermo-responsive surface profiles predicted by the theory and by the finite element modeling are in good agreement with the experimental data; in particular, higher gradients of molecular orientation produce a stronger modulation of the coating profile. The elastic theory and the finite element simulations allow us to estimate the material parameter that characterizes the elastomer coating’s response to the thermal activation. The disclinations containing LCEs show potential as soft dynamic coatings with a predesigned responsive surface profile.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrix

The direct variational determination of the two-electron reduced-density matrix (2-RDM) corresponding to an atomic or molecular system is usually carried out in a basis of real-valued atom-centered Gaussian basis functions, under the assumption that the 2-RDM is a real-valued quantity. Furthermore, for systems that possess orbital angular momentum symmetry, the description of states with a well-defined, nonzero z projection of the orbital angular momentum requires a computational framework generalized to include either complex basis functions or a complex-valued 2-RDM. We consider a semidefinite program suitable for the direct optimization of a complex-valued 2-RDM and explore the role of orbital angular momentum constraints in systems that possess the relevant symmetries. For atomic systems, constraints on the expectation values of the square and z projection of the orbital angular momentum operator allow one to optimize 2-RDMs for multiple orbital angular momentum states. Similarly, in linear molecules, orbital angular momentum projection constraints enable the description of multiple electronic states and, moreover, the application of such constraints is essential for a qualitatively correct description of the electronic structure. For example, in the case of molecular oxygen, we demonstrate that orbital angular momentum constraints are necessary to recover the correct energy ordering of the lowest-energy singlet and triplet states near the equilibrium geometry. However, care must still be taken in the description of the dissociation limit, because the 2-RDM-based approach is not size consistent, and the size-consistency error varies dramatically, depending on the z projections of the spin and orbital angular momenta.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

WE-G-BRA-05: IROC Houston On-Site Audits and Parameters That Affect Performance

Purpose: To highlight the IROC Houston on-site dosimetry audit program, and to investigate the impact of clinical conditions on the frequency of errors/recommendations noted by IROC Houston. Methods: The results of IROC Houston on-site audits from 2000-present were abstracted and compared to clinical parameters, this included 409 institutions and 1020 linacs. In particular, we investigated the frequency of recommendations versus year, and the impact of repeat visits on the number of recommendations. We also investigated the impact on the number of recommendations of several clinical parameters: the number and age of the linacs, the linac/TPS combination, and the scope of the QA program. Results: The number of recommendations per institution (3.1 average) has shown decline between 2000 and present, although the number of recommendations per machine (0.89) has not changed. Previous IROC Houston site visits did not Result in fewer recommendations on a repeat visit, but IROC Houston tests have changed substantially during the last 15 years as radiotherapy technology has changed. There was no impact on the number of recommendations based on the number of machines at the institution or the age of a given machine. The fewest recommendations were observed for Varian-Eclipse combinations (0.71 recs/machine), while Elekta- Pinnacle combinations yielded the most (1.62 recs/machine). Finally, in the TG-142 era (post-2010), those institutions that had a QA recommendation (n=77) had significantly more other recommendations (1.83 per institution) than those that had no QA rec (n=12, 1.33 per institution). Conclusion: Establishing and maintaining a successful radiotherapy program is challenging and areas of improvement can routinely be identified. Clinical conditions such as linac-TPS combinations and the establishment of a good QA program impact the frequency of errors/deficiencies identified by IROC Houston during their on-site review process.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-561: Energy Dependence of a Scintillation Detector

Purpose: To investigate the response and dose rate dependence of a scintillation detector over a wide energy range. Methods: The energy dependence of W1 scintillation detector was tested with: 1) 50–225 keV beams generated by an animal irradiator, 2) a Leksell Gamma Knife Perfexion Co-60 source, 3) 6MV, 6FFF, 10FFF and 15MV photon beams, and 4) 6–20MeV electron beams from a linac. Calibrated linac beams were used to deliver 100 cGy to the detector at dmax in water under reference conditions. The gamma-knife measurement was performed in solid water (100 cGy with 16mm collimator). The low energy beams were calibrated with an ion chamber in air (TG-61), and the scintillation detector was placed at the same location as the ionization chamber during calibration. For the linac photon and electron beams, dose rate dependence was tested for 100–2400 and 100–800 MU/min. Results: The scintillation detector demonstrated strong energy dependence in the range of 50–225keV. The measured values were lower than the delivered dose and increased as the energy increased. Therapeutic photon beams showed energy independence with variations less than 1%. Therapeutic electron beams displayed the same sensitivity of ∼2–3% at their corresponding dmax depths. The change in dose-rate of photon and electron beams within the therapeutic energy range did not affect detector output (<0.5%). Measurements acquired with the gamma knife showed that the output data agreed with the delivered dose up to 3%. Conclusion: W1 scintillation detector output has a strong energy dependence in the diagnostic and orthovoltage energy range. Therapeutic photon beams exhibited energy independence with no observable dose-rate dependence. This study may aid in the implementation of a scintillation detector in QA programs by providing energy calibration factors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

SU-G-TeP2-04: Comprehensive Machine Isocenter Evaluation with Separation of Gantry, Collimator, and Table Variables

Purpose: To develop and demonstrate application of a method that characterizes deviation of linac x-ray beams from the centroid of the volumetric radiation isocenter as a function of gantry, collimator, and table variables. Methods: A set of Winston-Lutz ball-bearing images was used to determine the gantry radiation isocenter as the midrange of deviation values resulting from gantry and collimator rotation. Also determined were displacement of table axis from gantry isocenter and recommended table axis adjustment. The method, previously reported, has been extended to include the effect of collimator walkout by obtaining measurements with 0 and 180 degree collimator rotation for each gantry angle. Twelve images were used to characterize the volumetric isocenter for the full range of available gantry, collimator, and table rotations. Results: Three Varian True Beam, two Elekta Infinity and four Versa HD linacs at five institutions were tested using identical methodology. Varian linacs exhibited substantially less deviation due to head sag than Elekta linacs (0.4 mm vs. 1.2 mm on average). One linac from each manufacturer had additional isocenter deviation of 0.3 to 0.4 mm due to jaw instability with gantry and collimator rotation. For all linacs, the achievable isocenter tolerance was dependent on adjustment of collimator position offset, transverse position steering, and alignment of the table axis with gantry isocenter, facilitated by these test results. The pattern and magnitude of table axis wobble vs. table angle was reproducible and unique to each machine. Conclusion: This new method provides a comprehensive set of isocenter deviation values including all variables. It effectively facilitates minimization of deviation between beam center and target (ball-bearing) position. This method was used to quantify the effect of jaw instability on isocenter deviation and to identify the offending jaw. The test is suitable for incorporation into a routine machine QA program. Software development was performed by Radiological Imaging Technology, Inc.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Annual Site Environmental Report: 2015 (ASER) for the SLAC National Accelerator Laboratory

This report, prepared by the SLAC National Accelerator Laboratory (SLAC) for the U.S. Department of Energy (DOE), SLAC Site Office (SSO), provides a comprehensive summary of the environmental program activities at SLAC for calendar year 2015. Annual Site Environmental Reports (ASERs) are prepared for all DOE sites with significant environmental activities, and distributed to relevant external regulatory agencies and other interested organizations or individuals. To the best of my knowledge, this report accurately summarizes the results of the 2015 environmental monitoring, compliance, and restoration programs at SLAC. This assurance can be made based on SSO and SLAC review of the ASER, and quality assurance protocols applied to monitoring and data analyses at SLAC.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Upgrading Fermilab s Accelerator Control System with ACORN

The Fermilab Accelerator Complex is the largest national user facility in the Office of High Energy Physics (DOE/HEP) program and the only national user facility operating at Fermilab. Fermilab serves as the host to the Long Baseline Neutrino Facility/Deep Underground Neutrino Experiment (LBNF/DUNE), the laboratory’s flagship project for neutrino science that is under construction. LBNF/DUNE will be powered by megawatt beams from an upgraded accelerator, the Proton Improvement Plan II (PIP-II) that will replace the laboratory’s aging linear accelerator with a new one based on superconducting radio-frequency cavities. The Accelerator Controls Operations Research Network (ACORN) Project will support LBNF/DUNE and PIP-II by modernizing the accelerator control system. The project is at the conceptual design phase and looking to achieve Critical Decision 1 (CD-1) later this year. The scope and structure of the project will be presented, along with an overview of how that has changed in the past year. Current design and technology choices will be shared. Specific challenges facing the project will be addressed, along with current thinking on solutions.

Roehrig, Christian [Fermilab]↗
DOE OSTI2020

Data-driven modeling and control of dynamical systems using Koopman and Perron-Frobenius operators

This dissertation studies the data-driven modeling and control problem of nonlinear systems by exploiting the linear operator theoretic framework involving Koopman and Perro-Frobenius operator. A systematic linear-operator based controller design procedure has been established, which can be used to solve a variety of nonlinear control problems, including feedback stabilization using control Lyapunov functions, optimal quadratic regulation using Koopman eigenfunctions and convex optimization formulation of optimal control problem using P-F and Koopman operator approximation. As the core of data-driven modeling, we first propose a new algorithm for the finite-dimensional approximation of the linear transfer Koopman and Perron-Frobenius operator from time-series data. We argue that the existing approach for the finite-dimensional approximation of these transfer operators such as Dynamic Mode Decomposition (DMD) and Extended Dynamic Mode Decomposition (EDMD) do not capture two important properties of these operators, namely positivity and Markov property. The algorithm we propose preserves these two properties. We call the proposed algorithm as naturally structured DMD (NSDMD) since it retains the inherent properties of these operators. Naturally structured DMD algorithm leads to a better approximation of the steady-state dynamics of the system regarding computing Koopman and Perron- Frobenius operator eigenfunctions and eigenvalues. However, preserving positivity property is critical for capturing the real transient dynamics of the system. This positivity property of the transfer operators and it's finite-dimensional approximation play an important role for controller and estimator design of nonlinear systems. To solve the feedback stabilization problem for nonlinear control systems, we tried to take advantage of the Koopman operator framework. The Koopman operator approach provides a linear representation for a nonlinear dynamical system and a bilinear representation for a nonlinear control system. The problem of feedback stabilization of a nonlinear control system is then transformed to the stabilization of a bilinear control system. We propose a control Lyapunov function (CLF)-based approach for the design of stabilizing feedback controllers for the bilinear system. The search for finding a CLF for the bilinear control system is formulated as a convex optimization problem. This leads to a schematic procedure for designing CLF-based stabilizing feedback controllers for the bilinear system and hence the original nonlinear system. Another advantage of the proposed controller design approach outlined in this dissertation is that it does not require explicit knowledge of system dynamics. In particular, the bilinear representation of a nonlinear control system in the Koopman eigenfunction space can be obtained from time-series data. Next, we study the optimal quadratic regulation problem for nonlinear systems. The linear operator theoretic framework involving the Koopman operator is used to lift the dynamics of nonlinear control system to an infinite-dimensional bilinear system. The optimal quadratic regulation problem for nonlinear system is formulated in terms of the finite-dimensional approximation of the bilinear system. A convex optimization-based approach is proposed for solving the quadratic regulator problem for bilinear system. We applied a variety of examples and compared the simulation results between our framework and conventional LQR control using linearized model. For more general optimal control problems, we provide a density-function based convex formulation for the optimal control problem of the nonlinear system. The convex formulation relies on the duality result in the stability theory of a dynamical system involving density function and Perron-Frobenius operator. The optimal control problem is formulated as an infinite-dimensional convex optimization program. The finite-dimensional approximation of the optimization problem relies on the recent advances made in the data-driven computation of the Koopman operator, which is dual to the Perron-Frobenius operator. Simulation results are presented to demonstrate the application of the developed framework.

Huang, Bowen↗
DOE OSTI2019

From graphical to model-based distillation column design: A McCabe-Thiele-inspired mathematical programming approach

We propose a mixed-integer nonlinear programming (MINLP) model for simple and complex distillation column design and optimization. The model is based upon the concepts and equations underpinning the McCabe-Thiele method. Generalizing this method, we introduce material balances at various locations of the column and employ binary variables to determine the optimal number of trays and optimal feed locations. We model the vapor–liquid equilibrium using continuous piecewise linear approximating functions. The model is extended to account for multicomponent mixtures and non-constant-molar overflow. We also discuss how to estimate the minimum number of trays and the minimum reflux ratio.

42 ENGINEERING↗
DOE OSTI2014

Synthetic aperture microwave imaging with active probing for fusion plasma diagnostics

A Synthetic Aperture Microwave Imaging (SAMI) system has been designed and built to obtain 2-D images at several frequencies from fusion plasmas. SAMI uses a phased array of linearly polarised antennas. The array configuration has been optimised to achieve maximum synthetic aperture beam efficiency. The signals received by antennas are down-converted to the intermediate frequency range and then recorded in a full vector form. Full vector signals allow beam focusing and image reconstruction in both real time and a post-processing mode. SAMI can scan over 16 pre-programmed frequencies in the range of 10-35GHz with a switching time of 300ns. The system operates in 2 different modes simultaneously: both a 'passive' imaging of plasma emission and also an 'active' imaging of the back-scattered signal of the radiation launched by one of the antennas from the same array. This second mode is similar to so-called Doppler backscattering (DBS) reflectometry with 2-D resolution of the propagation velocity of turbulent structures. Both modes of operation show good performance in fusion plasma experiments on Mega Amp Spherical Tokamak (MAST). We have obtained the first ever 2-D images of BXO mode conversion windows. With active probing, first ever turbulence velocity maps have been obtained. We present an overview of the diagnostic and discuss recent results. In contrast to quasi-optical microwave imaging systems SAMI requires neither big aperture viewing ports nor large 2-D detector arrays to achieve the desired imaging resolution. The number of effective 'pixels' of the synthesized image is proportional to the number of receiving antennas squared. Thus only a small number of optimised antennas is sufficient for the majority of applications. Possible implementation of SAMI on ITERand DEMO is discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS: THE REALM OF ANHARMONICITY

We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3-μm CH stretching region of polycyclic aromatic hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold (∼4 K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main bands that fall within 0.5% of the experimental frequencies. The implications for the aromatic infrared bands, specifically the 3-μm band, are discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

SEGUID v2: Extending SEGUID checksums for circular, linear, single- and double-stranded biological sequences

Background Synthetic biology involves combining different DNA fragments, each containing functional biological parts, to address specific problems. Fundamental gene-function research often requires cloning and propagating DNA fragments, such as those from the iGEM Parts Registry or Addgene, typically distributed as circular plasmids. Addgene’s repository alone offers around 150,000 plasmids. To ensure data integrity, cryptographic checksums can be calculated for the sequences. Each sequence has a unique checksum, making checksums useful for validation and quick lookups of associated annotations. For example, the SEGUID checksum uniquely identifies protein sequences with a 27-character string. Objectives The original SEGUID, while effective for protein sequences and single-stranded DNA (ssDNA), is not suitable for circular DNA since there is no natural starting position nor for double-stranded DNA (dsDNA) since two separate sequences are present. Challenges include how to uniquely represent linear dsDNA, circular ssDNA, and circular dsDNA. To meet these needs, we propose SEGUID v2, which extends the original SEGUID to handle additional types of sequences. Conclusions SEGUID v2 produces orientation and rotation invariant checksums for single-stranded, double-stranded, possibly staggered, linear, and circular DNA and RNA sequences. Customizable alphabets allow for other types of sequences. In contrast to the original SEGUID, which uses Base64, SEGUID v2 uses Base64url to encode the SHA-1 hash. This ensures SEGUID v2 checksums can be used as-is in filenames, regardless of platform, and in URLs, with minimal friction. Availability SEGUID v2 is readily available for major programming languages, distributed under the MIT license. JavaScript package seguid is available on npm, Python package seguid on PyPi, R package seguid on CRAN, and a Tcl script on GitHub. These tools, along with documentation, examples, and an online SEGUID Calculator , can be found at https://www.seguid.org .

Pereira, Humberto↗
DOE OSTI2016

Los Alamos Neutron Science Center

For more than 30 years the Los Alamos Neutron Science Center (LANSCE) has provided the scientific underpinnings in nuclear physics and material science needed to ensure the safety and surety of the nuclear stockpile into the future. In addition to national security research, the LANSCE User Facility has a vibrant research program in fundamental science, providing the scientific community with intense sources of neutrons and protons to perform experiments supporting civilian research and the production of medical and research isotopes. Five major experimental facilities operate simultaneously. These facilities contribute to the stockpile stewardship program, produce radionuclides for medical testing, and provide a venue for industrial users to irradiate and test electronics. In addition, they perform fundamental research in nuclear physics, nuclear astrophysics, materials science, and many other areas. The LANSCE User Program plays a key role in training the next generation of top scientists and in attracting the best graduate students, postdoctoral researchers, and early-career scientists. The U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA) —the principal sponsor of LANSCE—works with the Office of Science and the Office of Nuclear Energy, which have synergistic long-term needs for the linear accelerator and the neutron science that is the heart of LANSCE.

99 GENERAL AND MISCELLANEOUS↗