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DOE OSTI2015

Environmental Impact Assessment in the Visegrad Group countries

Highlights: • Comparison and evaluation of EIA systems in the V4 countries are presented. • Strengths and weaknesses of EIA systems based on a questionnaire survey are stated. • The function and efficiency of the EIA application in the V4 countries are analysed. • Irregularities and shortcomings of EIA systems in the V4 should be eliminated. The Environmental Impact Assessment Directive (EIA Directive) has created a reference framework for the implementation of the system of Environmental Impact Assessment (EIA) into the legal systems of the Member States of the European Union, including the countries belonging to the Visegrad Group (V4): Poland, Slovakia, the Czech Republic and Hungary. The Directive was the basis for the introduction of compulsory stages of the EIA process in the V4. The stages were then adapted to national requirements, including thresholds of the qualifying criteria of projects at the screening and scoping stages. The EIA system in the analysed countries has been growing, changing and being modified together with the political and economic changes of the last 30 years. Although all Visegrad Group countries are members of the EU and should harmonize the provisions of the EIA Directive and its amendments, there still exist singularities in each country's national EIA legislation, in terms of complementarities among the V4 countries, access to information resources, protection of natural resources, mitigation of socio-environmental impacts, or transboundary impact assessment. The article compares and evaluates the EIA systems in the four countries, specifies similarities and differences in the implementation of administrative proceedings and points out opportunities to strengthen the system. It presents selected results of a study conducted in 2013 within the framework of the international project “Assessment of the quality of the environment in the V4 Countries” (AQE V4). This paper indicates examples of good practice in the EIA systems and the obtained results are compared regarding the amendments to the current European Union EIA Directive.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

A New Shallow Underground Gas-Proportional Counting Lab - First Results and Ar-37 Sensitivity

Abstract A new ultra-low-background proportional counter was recently developed with an internal volume of 100 ml and has been characterized at pressures from 1-10 atmospheres with P-10 (90% Ar, 10% methane) gas. This design, along with a counting system providing event digitization and passive and active shielding, has been developed to complement a new shallow underground laboratory (30 meters water-equivalent). Backgrounds and low-level reference materials have been measured, and system sensitivity for Ar-37 has been calculated.

argon-37↗

DOE OSTI2015

Transmit-reference methods in software defined radio platforms for communication in harsh propagation environments and systems thereof

A method for adaptive Radio Frequency (RF) jamming according to one embodiment includes dynamically monitoring a RF spectrum; detecting any undesired signals in real time from the RF spectrum; and sending a directional countermeasure signal to jam the undesired signals. A method for adaptive Radio Frequency (RF) communications according to another embodiment includes transmitting a data pulse in a RF spectrum; and transmitting a reference pulse separated by a predetermined period of time from the data pulse; wherein the data pulse is modulated with data, wherein the reference pulse is unmodulated. A method for adaptive Radio Frequency (RF) communications according to yet another embodiment includes receiving a data pulse in a RF spectrum; and receiving a reference pulse separated in time from the data pulse, wherein the data pulse is modulated with data, wherein the reference pulse is unmodulated; and demodulating the pulses.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Transmit-reference methods in software defined radio platforms for communication in harsh propagation environments and systems thereof

42 ENGINEERING↗

DOE OSTI2018

A novel morphometry system automatically assessing the growth and regeneration of intestinal organoids

Highlights: • A new morphometry system for objectively evaluating organoid growth. • Measurable perimeter of organoid cultured for 24 h taken as an “Organoid Unit”. • Heterogeneities and regeneration of organoids can be evaluated by “Organoid Unit”. • Effects of radiation sensitizing or protective agents were objectively measured. As compared with 2D cell line cultures, 3D intestinal organoids are better at maximally recapitulating the physiological features of stem cells in vivo. However, the complex 3D structure is an obstacle which must be objectively and automatically evaluated to assess colony growth and regeneration. Meanwhile, no internal standard currently exists for evaluating the size of heterogeneities in organoids or defining those regenerating colonies. Herein, we developed a simple morphometry system to image MTT-stained organoids. The growth curve of organoids can be automatically generated based upon analyzing the integrated optical density using software. Referencing the definition standards of in vivo regenerating crypts, the perimeters of crypts cultured 24 h after seeding were selected as an “Organoid Unit” to further evaluate colony survival rate and colony size heterogeneities after exposure to varying doses of irradiation. Moreover, the morphometry-based quantification data collected confirmed other findings associated with radiation sensitizing effects of ataxia telangiectasia mutated (ATM) and ataxia telangiectasia and Rad3-related protein (ATR) inhibitor and the radiation protective effect of IL-22. In summary, the novel organoid morphometry system combined with a new internal reference is a practical means for standardizing assessment of growth, survival and regeneration of intestinal organoid colonies. This method has promise to facilitate drug screens in intestinal and other organoid systems.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Effect of Block Length and Side Chain Length Ratios on Determining a Multicompartment Micelle Structure

Previous work has identified the importance of the lipophilic-fluorophilic block length ratio R l in predicting the morphology of linear lipophilic-hydrophilic-fluorophilic (hereafter referred to as BAC) micelle systems. Here, a generalized form R of this structural parameter is developed that makes no assumption of BAC triblock copolymer linearity, while still providing accurate predictions of micelle morphology. Here, the morphologies of BAC micelles formed by triblock copolymers with R <<1 or R >>1 have similar features, with the only notable difference being an inversion of the lipophilic and fluorophilic regions. A destabilization of the single-core micelle structure occurs as R approaches unity from either direction. Finally, the extent to which micelle morphology depends on polymer architecture instead of composition alone is examined, with decreased patchiness observed in BAC systems with very long block lengths. Through modification of both the R-value and the polymer architecture, the micelle morphology can be effectively tuned for use in immobilized catalysis and nanoreactor applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Hadronic resonance production measured by the ALICE experiment at LHC

Hadronic resonances are among the most interesting probes of the hot and dense matter created in Pb-Pb collisions. Due to their short lifetime, they are sensitive to the anticipated chiral symmetry restoration as well as to suppression and regeneration due to hadronic interactions in the final state. At intermediate and high transverse momenta the hadron resonances, which cover the range of masses between the light pions and heavier protons, contribute to the systematic study of the baryon anomaly and parton energy loss in the dense medium. Measurements in pp collisions are used as a reference for collision of heavier systems and contribute to precision tests of pQCD and of the currently available parameterizations of fragmentation functions. Studies in p-Pb collisions are important for the interpretation of heavy ion results as they allow the decoupling of the initial nuclear effects from hot matter final state effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

The phase behavior and the homogeneous nucleation of an equimolar mixture of octahedra and cuboctahedra are studied using thermodynamic integration, Gibbs-Duhem integration, and umbrella sampling simulations. The components of this mixture are modeled as polybead objects of equal edge lengths so that they can assemble into a space-filling compound with the CsCl crystal structure. Taking as reference the hard-core system where the compound crystal does not spontaneously nucleate, we quantified the effect of inter-species selective interactions on facilitating the disorder-to-order transition. Facet selective and facet non-selective inter-species attractions were considered, and while the former was expectedly more favorable toward the target tessellating structure, the latter was found to be similarly effective in nucleating the crystal compound. Ranges for the strength of attractions and degree of supersaturation were identified where the nucleation free-energy barrier was small enough to foretell a fast process but large enough to prevent spinodal fluctuations that can trap the system in dense metastable states lacking long-range order. At those favorable conditions, the tendency toward the local orientational order favored by packing entropy is amplified and found to play a key role seeding nuclei with the CsCl structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Single-pulse (100 ps) extended x-ray absorption fine structure capability at the Dynamic Compression Sector

Determining real-time changes in the local atomistic order is important for a mechanistic understanding of shock wave induced structural and chemical changes. However, the single event and short duration (nanosecond times) nature of shock experiments pose challenges in obtaining Extended X-ray Absorption Fine Structure (EXAFS) measurements - typically used for monitoring local order changes. Here, we report on a new single pulse (~100 ps duration) transmission geometry EXAFS capability for use in laser shock-compression experiments at the Dynamic Compression Sector (DCS), Advanced Photon Source. We used a flat plate of highly oriented pyrolytic graphite (HOPG) as the spectrometer element to energy disperse x-rays transmitted through the sample. It provided high efficiency with approximately 15% of the x-rays incident on the HOPG reaching an x-ray area detector with high quantum efficiency. This combination resulted in good signal-to-noise ratio (~10 3 ), energy resolution of ~10 eV at 10 keV, EXAFS spectra covering 100s of eV, and good pulse to pulse reproducibility of our single pulse measurements. Ambient EXAFS spectra for Cu and Au are compared to reference spectra, validating our measurement system. Comparison of single pulse EXAFS results for ambient and laser shocked Ge(100) shows large changes to the local structure of the short lived state of shocked Ge. The current DCS EXAFS capability can be used to perform single pulse measurements in laser shocked materials from approximately 9-13 keV. These EXAFS developments will be available to all users of the DCS.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Enthalpies of formation for Criegee intermediates: A correlation energy convergence study

Criegee intermediates, formed from the ozonolysis of alkenes, are known to have a role in atmospheric chemistry, including the modulation of the oxidizing capacity of the troposphere. Although studies have been conducted since their discovery, the synthesis of these species in the laboratory has ushered in a new wave of investigations of these structures, both theoretically and experimentally. In some of these theoretical studies, high-order corrections for correlation energy are included to account for the mid multi-reference character found in these systems. Many of these studies include a focus on kinetics; therefore, the calculated energies should be accurate (<1 kcal/mol in error). In this research, we compute the enthalpies of formation for a small set of Criegee intermediates, including higher-order coupled cluster corrections for correlation energy up to coupled cluster with perturbative quintuple excitations. The enthalpies of formation for formaldehyde oxide, anti-acetaldehyde oxide, syn-acetaldehyde oxide, and acetone oxide are presented at 0 K as 26.5, 15.6, 12.2, and 0.1 kcal mol−1, respectively. Additionally, we do not recommend the coupled cluster with perturbative quadruple excitations [CCSDT(Q)] energy correction, as it is approximately twice as large as that of the coupled cluster with full quadruple excitations (CCSDTQ). Half of the CCSDT(Q) energy correction may be included as a reliable, cost-effective estimation of CCSDTQ energies for Criegee intermediates.

Chemistry↗

DOE OSTI2014

The COS/UVES absorption survey of the Magellanic stream. III. Ionization, total mass, and inflow rate onto the Milky Way

Dynamic interactions between the two Magellanic Clouds have flung large quantities of gas into the halo of the Milky Way. The result is a spectacular arrangement of gaseous structures, including the Magellanic Stream, the Magellanic Bridge, and the Leading Arm (collectively referred to as the Magellanic System). In this third paper of a series studying the Magellanic gas in absorption, we analyze the gas ionization level using a sample of 69 Hubble Space Telescope/Cosmic Origins Spectrograph sightlines that pass through or within 30° of the 21 cm emitting regions. We find that 81% (56/69) of the sightlines show UV absorption at Magellanic velocities, indicating that the total cross-section of the Magellanic System is ≈11,000 deg{sup 2}, or around one-quarter of the entire sky. Using observations of the Si III/Si II ratio together with Cloudy photoionization modeling, we calculate the total gas mass (atomic plus ionized) of the Magellanic System to be ≈2.0 × 10{sup 9} M {sub ☉} (d/55 kpc){sup 2}, with the ionized gas contributing around three times as much mass as the atomic gas. This is larger than the current-day interstellar H I mass of both Magellanic Clouds combined, indicating that they have lost most of their initial gas mass. If the gas in the Magellanic System survives to reach the Galactic disk over its inflow time of ∼0.5-1.0 Gyr, it will represent an average inflow rate of ∼3.7-6.7 M {sub ☉} yr{sup –1}, potentially raising the Galactic star formation rate. However, multiple signs of an evaporative interaction with the hot Galactic corona indicate that the Magellanic gas may not survive its journey to the disk fully intact and will instead add material to (and cool) the corona.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Gauge-transformation properties of cosmological observables and its application to the light-cone average

Theoretical descriptions of observable quantities in cosmological perturbation theory should be independent of coordinate systems. This statement is often referred to as gauge-invariance of observable quantities, and the sanity of their theoretical description is verified by checking its gauge-invariance. We argue that cosmological observables are invariant scalars under diffeomorphisms and their theoretical description is gauge-invariant, only at linear order in perturbations. Beyond linear order, they are usually not gauge-invariant, and we provide the general law for the gauge-transformation that the perturbation part of an observable does obey. We apply this finding to derive the second-order expression for the observational light-cone average in cosmology and demonstrate that our expression is indeed invariant under diffeomorphisms.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Classical field approximation of ultralight dark matter: Quantum break times, corrections, and decoherence

The classical field approximation is widely used to better understand the predictions of ultralight dark matter. Here, in this work, we use the truncated Wigner approximation method to test the classical field approximation of ultralight dark matter. This method approximates a quantum state as an ensemble of independently evolving realizations drawn from its Wigner function. The method is highly parallelizable and allows the direct simulation of quantum corrections and decoherence times in systems many times larger than have been previously studied in reference to ultralight dark matter. Our study involves simulation of systems in 1, 2, and 3 spatial dimensions. We simulate three systems, the condensation of a Gaussian random field in three spatial dimensions, a stable collapsed object in three spatial dimensions, and the merging of two stable objects in two spatial dimensions. We study the quantum corrections to the classical field theory in each case. We find that quantum corrections grow exponentially during nonlinear growth with the timescale being approximately equal to the system dynamical time. In stable systems the corrections grow quadratically. We also find that the primary effect of quantum corrections is to reduce the amplitude of fluctuations on the de Broglie scale in the spatial density. Finally, we find that the timescale associated with decoherence due to gravitational coupling to baryonic matter is at least as fast as the quantum corrections due to gravitational interactions. These results are consistent with the predictions of the classical field theory being accurate.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Geometric frustration induces the transition between rotation and counterrotation in swirled granular media

Granular material in a swirled container exhibits a curious transition as the number of particles is increased: At low densities, the particle cluster rotates in the same direction as the swirling motion of the container, while at high densities it rotates in the opposite direction. We investigate this phenomenon experimentally and numerically using a corotating reference frame in which the system reaches a statistical steady state. In this steady state, the particles form a cluster whose translational degrees of freedom are stationary, while the individual particles constantly circulate around the cluster's center of mass, similar to a ball rolling along the wall within a rotating drum. We show that the transition to counterrotation is friction dependent. At high particle densities, frictional effects result in geometric frustration, which prevents particles from cooperatively rolling and spinning. Consequently, the particle cluster rolls like a rigid body with no-slip conditions on the container wall, which necessarily counterrotates around its own axis. Furthermore, numerical simulations verify that both wall-disk friction and disk-disk friction are critical for inducing counterrotation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2013

HipGISAXS : a high-performance computing code for simulating grazing-incidence X-ray scattering data

This article describes the development of a flexible grazing-incidence small-angle X-ray scattering (GISAXS) simulation code in the framework of the distorted wave Born approximation that effectively utilizes the parallel processing power provided by graphics processors and multicore processors. The code, entitled High-Performance GISAXS , computes the GISAXS image for any given superposition of user-defined custom shapes or morphologies in a material and for various grazing-incidence angles and sample orientations. These capabilities permit treatment of a wide range of possible sample structures, including multilayered polymer films and nanoparticles on top of or embedded in a substrate or polymer film layers. In cases where the material displays regions of significant refractive index contrast, an algorithm has been implemented to perform a slicing of the sample and compute the averaged refractive index profile to be used as the reference geometry of the unperturbed system. A number of case studies are presented, which demonstrate good agreement with the experimental data for a variety of polymer and hybrid polymer/nanoparticle composite materials. The parallelized simulation code is well suited for addressing the analysis efforts required by the increasing amounts of GISAXS data being produced by high-speed detectors and ultrafast light sources.

Chemistry↗

DOE OSTI2015

SU-E-J-104: Evaluation of Accuracy for Various Deformable Image Registrations with Virtual Deformation QA Software

Purpose: The accuracy of deformable image registration (DIR) has a significant dosimetric impact in radiation treatment planning. We evaluated accuracy of various DIR algorithms using virtual deformation QA software (ImSimQA, Oncology System Limited, UK). Methods: The reference image (Iref) and volume (Vref) was first generated with IMSIMQA software. We deformed Iref with axial movement of deformation point and Vref depending on the type of deformation that are the deformation1 is to increase the Vref (relaxation) and the deformation 2 is to decrease the Vref (contraction) .The deformed image (Idef) and volume (Vdef) were inversely deformed to Iref and Vref using DIR algorithms. As a Result, we acquired deformed image (Iid) and volume (Vid). The DIR algorithms were optical flow (HS, IOF) and demons (MD, FD) of the DIRART. The image similarity evaluation between Iref and Iid was calculated by Normalized Mutual Information (NMI) and Normalized Cross Correlation (NCC). The value of Dice Similarity Coefficient (DSC) was used for evaluation of volume similarity. Results: When moving distance of deformation point was 4 mm, the value of NMI was above 1.81 and NCC was above 0.99 in all DIR algorithms. Since the degree of deformation was increased, the degree of image similarity was decreased. When the Vref increased or decreased about 12%, the difference between Vref and Vid was within ±5% regardless of the type of deformation. The value of DSC was above 0.95 in deformation1 except for the MD algorithm. In case of deformation 2, that of DSC was above 0.95 in all DIR algorithms. Conclusion: The Idef and Vdef have not been completely restored to Iref and Vref and the accuracy of DIR algorithms was different depending on the degree of deformation. Hence, the performance of DIR algorithms should be verified for the desired applications.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-E-J-194: Continuous Patient Surface Monitoring and Motion Analysis During Lung SBRT

Purpose: Continuous monitoring of the SBRT lung patient motion during delivery is critical for ensuring adequate target volume margins in stereotactic body radiotherapy (SBRT). This work assesses the deviation of the patient surface motion using a real-time surface tracking system throughout treatment delivery. Methods: Our SBRT protocol employs abdominal compression to reduce the diaphragm movement to within 1 cm, and this is confirmed daily with fluoroscopy. Most patients are prescribed 3–5 fractions, and on treatment day a repeat motion analysis with fluoroscopy is performed, followed by a kV CBCT is aligned with the original planning CT image for 3D setup confirmation. During this entire process a patient surface data restricted to whole chest or the sternum at the middle of the breathing cycle was captured using AlignRT optical surface tracking system and defined as a reference surface. For 10 patients, the deviation of the patient position from the reference surface was recorded during the SBRT delivery in the anterior-posterior (AP) direction at 3–6 measurements per second. Results: On average, the patient position deviated from the reference surface more than 4 mm, 3 mm and 2 mm in the AP direction for 0.95%, 3.7% and 11.1% of the total treatment time, respectively. Only one of the 10 patients showed that the maximum deviation of the patient surface during the SBRT delivery was greater than 1 cm. The average deviation of the patient surface from the reference surface during the SBRT delivery was not greater than 1.6 mm for any patient. Conclusion: This investigation indicates that AP motion can be significant even though the frequency is low. Continuous monitoring during SBRT has demonstrated value in monitoring patient motion ensuring that margins selected for SBRT are appropriate, and the use of non-ionizing and high-frequency imaging can provide useful indicators of motion during treatment.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

Measurement of differential cross sections for the production of a pair of isolated photons in pp collisions at √s=7TeV

A measurement of differential cross sections for the production of a pair of isolated photons in proton–proton collisions at √s=7TeV is presented. The data sample corresponds to an integrated luminosity of 5.0fb -1 collected with the CMS detector. A data-driven isolation template method is used to extract the prompt diphoton yield. The measured cross section for two isolated photons, with transverse energy above 40 and 25GeV respectively, in the pseudorapidity range |η|<2.5, |η|ϵ[1.44,1.57] and with an angular separation ΔR>0.45, is 17.2±0.2(stat)±1.9(syst)±0.4(lumi) \,pb. Differential cross sections are measured as a function of the diphoton invariant mass, the diphoton transverse momentum, the azimuthal angle difference between the two photons, and the cosine of the polar angle in the Collins–Soper reference frame of the diphoton system. The results are compared to theoretical predictions at leading, next-to-leading, and next-to-next-to-leading order in quantum chromodynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗