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At least 37 records · Page 2

Effects of Bone Marrow Autotransplantation on the Bone Marrow Neurotransmitter Structures

Morphological structures involved in local regulation of tissue processes and the neurotransmitters they produce are assumed to play an important role in the pathogenesis of oncological diseases. We studied the dynamics of neurotransmitter cell counts and distribution of catecholamines and serotonin in them and analyzed proliferative activity of hemopoietic cells in the bone marrow of mice after bone marrow autotransplantation. The bone marrow of male mice was studied by fluorescent and immunohistochemical methods after injection of the bone marrow from the same mouse into the caudal vein. The count of neurotransmitter cells and the cell proliferation index increased after bone marrow autotransplantation.

60 APPLIED LIFE SCIENCES↗

Imaging of dynamic magnetic fields with spin-polarized neutron beams

Precession of neutron spin in a magnetic field can be used for mapping of a magnetic field distribution, as demonstrated previously for static magnetic fields at neutron beamline facilities. The fringing in the observed neutron images depends on both the magnetic field strength and the neutron energy. In this paper we demonstrate the feasibility of imaging periodic dynamic magnetic fields using a spin-polarized cold neutron beam. Our position-sensitive neutron counting detector, providing with high precision both the arrival time and position for each detected neutron, enables simultaneous imaging of multiple phases of a periodic dynamic process with microsecond timing resolution. The magnetic fields produced by 5- and 15-loop solenoid coils of 1 cm diameter, are imaged in our experiments with ~100 μm resolution for both dc and 3 kHz ac currents. Our measurements agree well with theoretical predictions of fringe patterns formed by neutron spin precession. We also discuss the wavelength dependence and magnetic field quantification options using a pulsed neutron beamline. Furthermore, the ability to remotely map dynamic magnetic fields combined with the unique capability of neutrons to penetrate various materials (e.g., metals), enables studies of fast periodically changing magnetic processes, such as formation of magnetic domains within metals due to the presence of ac magnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Improved parallel performance of the CICE model in CESM1

The Los Alamos sea ice model, CICE, is a sophisticated finite difference grid point model. It has been a part of the National Science Foundation and Department of Energy community climate models (Community Climate System Model (CCSM) and Community Earth System Model (CESM)) for over a decade. It includes various physical and dynamical processes and is parallelized to run on large-scale computer systems. The CICE model was assessed in the CESM at different resolutions and target processor counts to better understand and optimize the performance. Several new decompositions and a new feature to reduce the halo cost were added to the model. The new decompositions better leverage land block elimination and take advantage of scaling opportunities in different computational kernels. As a result of these new features, the CICE model performance has been improved by up to 45% and has more flexibility to be run efficiently at arbitrary Message Passing Interface (MPI) task counts

54 ENVIRONMENTAL SCIENCES↗

Digitalized two parametric system for gamma/neutron spectrometry - Paper 59

Many types of detectors like stilbene, NE-213 etc. in conjunction with photomultiplier loaded with low working resistance produce pulses of approximately 100 ns length and contain information about deposited particle in the trailing edge. Using fast analog to digital converters (ADC) and field-programmable gate array (FPGA) it is possible to create a spectrometric system working in mixed gamma and neutron fields which is not loaded dead time. The count rate of processed pulses can reach more than one million per second. Such a high count rate of processed pulses can be achieved due to the pulse processing is implemented in FPGA. The output of this pulse processing is amplitude which describes the energy of deposited particle and discrimination parameter whereby it is possible to discriminate photons and neutrons. To increase the dynamic range of energy of detectable particle the signal from photomultiplier is separated into two branches with different amplification. Each branch is digitalized by separate ADC. Components from which the system is composed are so light that the spectrometer can be easily transported. Its weight is less than 3 kilograms. Spectrometer was tested in the research reactor LR-0 in Rez near Prague (Czech Republic). The measured data was processed using deconvolution into a neutron flux density and compared with nowadays used analog spectrometer and simulation result. Measured neutron spectrum of Cf-252 is included. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Feasibility study of prompt gamma neutron activation for NDT measurement of moisture in stone and brick

The conservation of stone and brick architecture or sculpture often involves damage caused by moisture. The feasibility of a NDT method based on prompt gamma neutron activation (PGNA) for measuring the element hydrogen as an indication of water is being evaluated. This includes systematic characterization of the lithology and physical properties of seven building stones and one brick type used in the buildings of the Smithsonian Institution in Washington, D.C. To determine the required dynamic range of the NDT method, moisture-related properties were measured by standard methods. Cold neutron PGNA was also used to determine chemically bound water (CBW) content. The CBW does not damage porous masonry, but creates an H background that defines the minimum level of detection of damaging moisture. The CBW was on the order of 0.5% for all the stones. This rules out the measurement of hygric processes in all of the stones and hydric processed for the stones with fine scale pore-size distributions The upper bound of moisture content, set by porosity through water immersion, was on the order of 5%. The dynamic range is about 10–20. The H count rates were roughly 1–3 cps. Taking into account differences in neutron energies and fluxes and sample volume between cold PGNA and a portable PGNA instrument, it appears that it is feasible to apply PGNA in the field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solvent Effect on the Photoinduced Structural Change of a Phosphorescent Molecular Butterfly

Abstract Photoinduced structural changes (PSC) is one of the fundamental excited‐state dynamic processes, and yet often very challenging to distinguish from competing electronic excited‐state relaxation channels having similar or even comparable timescales. Here, we report a detailed study on the PSC of a pyrazolate bridged platinum(II) binuclear complex, BFPtPZ (C^NPt(μ‐pz′) 2 PtC^N, C^N=2‐(2,4‐difluorophenyl)pyridine, pz′=pyrazolate), a molecular butterfly, using time‐correlated single photon counting measurements at different wavelengths and sample temperatures. Analysis of the results obtained using dichloromethane (DCM) and ethylene carbonate (EC) as solvents enabled us to reveal an unexpected, strong solvent effect on the PSC processes. We show that a rapid PSC process with a characteristic timescale of 323 ps is observed in DCM, which leads to an excitation equilibrium between the ligand center/metal‐to‐ligand charge transfer ( 3 LC/MLCT) and metal‐metal‐to‐ligand charge transfer ( 3 MMLCT) triplet states. The subsequent relaxation from these electronic states to the ground state takes place in several nanoseconds. In contrast, the corresponding PSC process in EC appears slow at all temperatures studied in our experiments and showed no sign of such excitation equilibrium. The observed solvent effect is found to arise from distinct solvent properties including their viscosities and polarities as well as the peculiar electronic excited‐states of the butterfly‐like molecules with charge transfer character.

Ma, Ying‐Zhong↗

Experimental Measures of Fission Time Scales

The nuclear fission process involves a drastic rearrangement of the nuclear matter of the fissioning system as it undergoes shape changes from a single, compact nucleus to two separated fission fragments. Understanding the dynamics of this process has been the focus of much research for decades, both theoretical and experimental, using a number of different approaches. Early on, Kramers [1] proposed that the fission rate is not well described by the statistical counting of transition states as proposed by Bohr and Wheeler [2] but that the friction or viscosity of the nuclear matter can play a substantial role in slowing down the rate by large factors. Aside from the theoretical estimates of fission time scales, a number of different approaches have been used to obtain experimental information on this quantity. Although the divergence of results obtained by the different experimental approaches have been known for years, these discrepancies have not yet been resolved and they have recently received renewed attention [3]. In this paper I will recount some of the experimental approaches to estimate the fission time scales and discuss their respective strengths and weaknesses without coming close to provide a resolution of the discrepancies.

Back, B. B.↗

Stochastic Kinetics of Nanocatalytic Systems

Catalytic reaction events occurring on the surface of a nanoparticle constitute a complex stochastic process. Although advances in modern single-molecule experiments enable direct measurements of individual catalytic turnover events occurring on a segment of a single nanoparticle, we do not yet know how to measure the number of catalytic sites in each segment or how the catalytic turnover counting statistics and the catalytic turnover time distribution are related to the microscopic dynamics of catalytic reactions. Here, we address these issues by presenting a stochastic kinetics for nanoparticle catalytic systems. We propose a new experimental measure of the number of catalytic sites in terms of the mean and variance of the catalytic event count. By considering three types of nanocatalytic systems, we investigate how the mean, the variance, and the distribution of the catalytic turnover time depend on the catalytic reaction dynamics, the heterogeneity of catalytic activity, and communication among catalytic sites. This work enables accurate quantitative analyses of single-molecule experiments for nanocatalytic systems and enzymes with multiple catalytic sites.

Statistical Physics↗

Effect of likelihood misspecification in Gaussian process-driven autonomous experimentation

In recent years, several groups have designed Autonomous Experiment (AE) models with the aim of using them as an alternative method for neutron scattering scanning. In an AE, Gaussian processes (GPs) are most frequently used due to their interpretability, their non-parametric nature, their universal approximation, and their closed-form predictive distribution. GPs have two key components, namely, the model for the likelihood of a neutron count knowing the underlying dynamic structure factor and the acquisition function. In this paper, we investigate the impact, on the quality of an AE, of the likelihood and acquisition function choices, in energy scans and (Q, ω) ones, with respect to the signal-over-noise ratio. While we hypothesized that the quality of GP predictions would decrease when the normal to Poisson likelihood approximation breaks down at low count rates, we found that the use of the correct Poisson likelihood does not improve the quality of the data collected, as well as yields very poor results in (Q, ω) scans at low count rates. In fact, the best results are obtained with a combination of normal likelihood, including the observation noise, and the change in variance acquisition function. In addition, we find that the performance, or quality of the predictive distribution, is a misleading measure of efficiency, that is, of the quality of the data collected.

Perryman, David Elliott [Inst. Laue-Langevin (ILL)↗

Learning to Count Grave Sites for Cemetery Observation Models With Satellite Imagery

Understanding how people occupy open spaces is important for research in support of population modeling, policy, national security, emergency response, and sustainability. For the past decade, there has been an increase in research toward capturing and reporting population dynamics and patterns of life at the building level and in some open public spaces such as cemeteries and parks. This is done through observation models developed from local sociocultural information acquired at various spatiotemporal scales to inform night, day, and episodic population occupancy estimates (people/1000 sq ft). Sociocultural information for cemeteries and parks is scarcely available and often collected manually. The process is not only marred by inconsistencies but is laborious and time consuming. In this study, we leverage convolutional neural networks (CNNs) and satellite imagery to derive grave site counts as proxy variables to support scalable and accurate sociocultural data required in a population observation model. Through a hybrid workflow (weak localization plus regression model), we characterize a large scale automation process to counting of grave sites. We evaluate and demonstrate the efficacy of proposed workflow using out-of-data set large satellite imagery and establish its broader impact on cemetery observation models.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Improved Quantitative Dynamic Range of Time-of-Flight Mass Spectrometry by Simultaneously Waveform-Averaging and Ion-Counting Data Acquisition

Two different types of data acquisition methods, “averaging mode” and “ion-counting mode”, have been used in a time-of-flight (TOF) mass spectrometry. The most common method is an averaging mode that sums waveform signals obtained from each flight cycle. While it is possible to process many ions arriving at the same TOF in one flight cycle, low-abundance ions are difficult to measure because ion signals are overwhelmed by noises from the detection system. An ion-counting mode is suitable for the detection of such low-concentration ions, but counting loss occurs when two or more ions arrive at the detector within the dead time of the acquisition system. In this study, we introduce a technique that combines two methods to measure target ions with a high concentration difference, i.e., averaging mode and ion-counting mode are used simultaneously for high abundant and trace ions, respectively. By processing waveforms concurrently during data acquisition, one can choose to analyze either or both types of data to achieve a highly quantitative mass spectrum over a wide range of sample concentrations. The result of the argon isotope analysis shows that this method provides a more accurate determination of the isotope ratio compared to averaging mode alone at one-twentieth of the analysis time required by ion-counting alone. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Evolution of CMS Workload Management Towards Multicore Job Support

The successful exploitation of multicore processor architectures is a key element of the LHC distributed computing system in the coming era of the LHC Run 2. High-pileup complex-collision events represent a challenge for the traditional sequential programming in terms of memory and processing time budget. The CMS data production and processing framework is introducing the parallel execution of the reconstruction and simulation algorithms to overcome these limitations. CMS plans to execute multicore jobs while still supporting singlecore processing for other tasks difficult to parallelize, such as user analysis. The CMS strategy for job management thus aims at integrating single and multicore job scheduling across the Grid. This is accomplished by employing multicore pilots with internal dynamic partitioning of the allocated resources, capable of running payloads of various core counts simultaneously. An extensive test programme has been conducted to enable multicore scheduling with the various local batch systems available at CMS sites, with the focus on the Tier-0 and Tier-1s, responsible during 2015 of the prompt data reconstruction. Scale tests have been run to analyse the performance of this scheduling strategy and ensure an efficient use of the distributed resources. This paper presents the evolution of the CMS job management and resource provisioning systems in order to support this hybrid scheduling model, as well as its deployment and performance tests, which will enable CMS to transition to a multicore production model for the second LHC run.

Perez-Calero Yzquierdo, A.↗

Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware

The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of accuracy, atom count (spatial scale), and duration (temporal scale). Since the mid-2000s, computer platforms have, however, failed to provide strong scaling for MD, as scale-out central processing unit (CPU) and graphics processing unit (GPU) platforms that provide substantial increases to spatial scale do not lead to proportional increases in temporal scale. Important scientific problems therefore remained inaccessible to direct simulation, prompting the development of increasingly sophisticated algorithms that present significant complexity, accuracy, and efficiency challenges. While bespoke MD-only hardware solutions have provided a path to longer timescales for specific physical systems, their impact on the broader community has been mitigated by their limited adaptability to new methods and potentials. In this work, we show that a novel computing architecture, the Cerebras wafer scale engine, completely alters the scaling path by delivering unprecedentedly high simulation rates up to 1.144 M steps/s for 200 000 atoms whose interactions are described by an embedded atom method potential. This enables direct simulations of the evolution of materials using general-purpose programmable hardware over millisecond timescales, dramatically increasing the space of direct MD simulations that can be carried out. In this paper, we provide an overview of advances in MD over the last 60 years and present our recent result in the context of historical MD performance trends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extinction Monitoring of Pulsed Proton Beams Using FPGA-Based Peak Detection

The Mu2e experiment at Fermilab imposes stringent requirements on the elimination of out-of-time beam in its pulsed proton beam - a requirement known as "extinction". We present a method to measure the out-of-time particle rates to calculate the level of extinction in the inter-pulse gaps. The proposed method utilizes an array of quartz Cherenkov radiators and photomultiplier tubes to detect particles scattered from a vacuum chamber in the M4 transfer beamline at Fermilab.The measurement will employ a new μTCA-based FPGA system for data acquisition and signal processing, utilizing real-time peak detection algorithms to count scattered beam particles. By integrating data over many transfers, the time profile of the out-of-time beam will be resolved to fractional levels relative to that of the in-time beam. These results are compared with G4beamline simulations to validate models of beam transport, dynamics, and extinction, providing critical input for optimizing beam delivery to Mu2e.

Hensley, Ryan [UC, Davis]↗

Real-Time Radiological Source Term Estimation for Multiple Sources in Cluttered Environments

A particle filter algorithm is presented to estimate the position, strength, and cardinality of an unknown number of radioactive point sources in an obstacle-rich environment using count measurements. The algorithm addresses gaps in the prior literature by incorporating two novel elements. The first is a precomputation step in which local terrain and obstacle data is processed to compute attenuation kernels throughout the search area. This enables rapid estimation performance in obstacle-rich environments as measurements are gathered. The second novel feature is a dynamic particle allocation technique in which the number of particles is adjusted in real time to meet convergence goals. This feature allows the algorithm to scale more efficiently to scenarios with a larger number of sources. Furthermore, a series of computational experiments using simulated data demonstrates the algorithm’s performance in a cluttered environment with up to eight sources.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Real-Time Radiological Source Term Estimation for Multiple Sources in Cluttered Environments

A particle filter algorithm is presented to estimate the position, strength, and cardinality of an unknown number of radioactive point sources in an obstacle-rich environment using count measurements. The algorithm addresses gaps in the prior literature by incorporating two novel elements. The first is a precomputation step in which local terrain and obstacle data is processed to compute attenuation kernels throughout the search area. This enables rapid estimation performance in obstacle-rich environments as measurements are gathered. The second novel feature is a dynamic particle allocation technique in which the number of particles is adjusted in real time to meet convergence goals. This feature allows the algorithm to scale more efficiently to scenarios with a larger number of sources. A series of computational experiments using simulated data demonstrates the algorithm’s performance in a cluttered environment with up to eight sources.

Kemp, Samuel↗

Fragmentation dynamics of CS 2 dications and trications following S 2p ionization

Here, we present the results from a detailed study of the fragmentation dynamics of CS$_2^{2+}$ and CS$_2^{3+}$, formed in intense femtosecond soft x-ray pulses above the sulfur 2p edge, primarily through single core photoionization from the S 2p site, and subsequent Auger–Meitner decay(s). By combining three-dimensional velocity map imaging with covariance analysis, we determine the relative momenta of the ions produced in each two- and three-body fragmentation channel, at significantly higher ion count rates than conventional coincidence measurements. We shed new light on the wide range of fragmentation channels observed from the CS 2 dication and trication, including channels that involve ionization-induced bond formation and fragmentations producing undetected neutral cofragments. In the latter case, a “native frames” approach is used to isolate contributions from concerted and sequential fragmentations and extract dynamical information about each step of a concerted fragmentation process. While dications often fragment sequentially, the trication is dominated by concerted fragmentation. The main trication fragmentation channel into S + + C + + S + can be well-approximated by classical Coulombic simulations of the ground-state geometry distribution, reflecting both the nature of the trication potential energy surface and the rapid multiple ionization prior to substantial structural dynamics. This study demonstrates ways in which fundamental insights into the fragmentation dynamics of polycations following x-ray ionization may be extracted, which will be beneficial to future studies that employ time-resolved x-ray Coulomb explosion imaging to study ultrafast photochemistry.

Allum, Felix [Deutsches Elektronen-Synchrotron (DE↗