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At least 1,153 records · Page 64

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DOE OSTI2021

Reconfigurable Two‐Dimensional DNA Lattices: Static and Dynamic Angle Control

Abstract Branched DNA motifs serve as the basic construction elements for all synthetic DNA nanostructures. However, precise control of branching orientation remains a key challenge to further heighten the overall structural order. In this study, we use two strategies to control the branching orientation. The first one is based on immobile Holliday junctions which employ specific nucleotide sequences at the branch points which dictate their orientation. The second strategy is to use angle‐enforcing struts to fix the branching orientation with flexible spacers at the branch points. We have also demonstrated that the branching orientation control can be achieved dynamically, either by canonical Watson–Crick base pairing or non‐canonical nucleobase interactions (e.g., i‐motif and G‐quadruplex). With precise angle control and feedback from the chemical environment, these results will enable novel DNA nanomechanical sensing devices, and precisely‐ordered three‐dimensional architectures.

Wang, Wen↗

DOE OSTI2017

Extracting interface locations in multilayer polymer waveguide films using scanning angle Raman spectroscopy

There is an increasing demand for nondestructive in situ techniques that measure chemical content, total thickness, and interface locations for multilayer polymer films, and SA Raman spectroscopy in combination with appropriate data models can provide this information. A scanning angle (SA) Raman spectroscopy method was developed to measure the chemical composition of multilayer polymer waveguide films and to extract the location of buried interfaces between polymer layers with 7–80-nm axial spatial resolution. The SA Raman method measures Raman spectra as the incident angle of light upon a prism-coupled thin film is scanned. Six multilayer films consisting of poly(methyl methacrylate)/polystyrene or poly(methyl methacrylate)/polystyrene/poly(methyl methacrylate) were prepared with total thicknesses ranging from 330-1260 nm. The interface locations were varied by altering the individual layer thicknesses between 140-680 nm. The Raman amplitude ratio of the 1605 cm -1 peak for PS and 812 cm -1 peak for PMMA was used in calculations of the electric field intensity within the polymer layers to model the SA Raman data and extract the total thickness and interface locations. There is an average 8% and 7% difference in the measured thickness between the SA Raman and profilometry measurements for bilayer and trilayer films, respectively.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Potentials with small-angle neutron scattering technique for understanding structure-property relation of 3D-printed materials: SANS Investigation of 3D-Printed Materials

Carbon fiber (CF)-embedded acrylonitrile butadiene styrene polymer composites printed on the large-scale printer at Oak Ridge National Laboratory were investigated by small-angle neutron scattering to correlate the microstructure of the composites with their mechanical strength. The microstructure of the polymer domains and the alignment of CF were characterized across the interfaces among layers of the hot-melt extruded material and were compared with CF-free ABS. The small-angle neutron scattering data show that the CF-containing material displays strong anisotropic scatterings indicating molecular alignment along the printing direction that is not present in the CF-free ABS. Scattering data analysis across the interfacial layer revealed enhanced molecular alignment along the printing direction near the boundaries and inhomogeneous size distribution of polymer domains upon the addition of CF. We attribute the compromised strength across interfacial layers from CF-containing material to this inhomogeneous size distribution which inhibits effective lateral interaction between layers.

36 MATERIALS SCIENCE↗

DOE OSTI2021

In Operando Angle‐Resolved Photoemission Spectroscopy with Nanoscale Spatial Resolution: Spatial Mapping of the Electronic Structure of Twisted Bilayer Graphene

To pinpoint the electronic and structural mechanisms that affect intrinsic and extrinsic performance limits of 2D material devices, it is of critical importance to resolve the electronic properties on the mesoscopic length scale of such devices under operating conditions. Herein, angle‐resolved photoemission spectroscopy with nanoscale spatial resolution (nanoARPES) is used to map the quasiparticle electronic structure of a twisted bilayer graphene device. The dispersion and linewidth of the Dirac cones associated with top and bottom graphene layers are determined as a function of spatial position on the device under both static and operating conditions. The analysis reveals that microscopic rotational domains in the two graphene layers establish a range of twist angles from 9.8° to 12.7°. Application of current and electrostatic gating lead to strong electric fields with peak strengths of 0.75 V/μm at the rotational domain boundaries in the device. These proof‐of‐principle results demonstrate the potential of nanoARPES to link mesoscale structural variations with electronic states in operating device conditions and to disentangle such extrinsic factors from the intrinsic quasiparticle dispersion.

Majchrzak, Paulina↗

DOE OSTI2021

The physics potential of a reactor neutrino experiment with Skipper CCDs: Measuring the weak mixing angle

We analyze in detail the physics potential of an experiment like the one recently proposed by the vIOLETA collaboration: a kilogram-scale Skipper CCD detector deployed 12 meters away from a commercial nuclear reactor core. This experiment would be able to detect coherent elastic neutrino nucleus scattering from reactor neutrinos, capitalizing on the exceptionally low ionization energy threshold of Skipper CCDs. To estimate the physics reach, we elect the measurement of the weak mixing angle as a case study. We choose a realistic benchmark experimental setup and perform variations on this benchmark to understand the role of quenching factor and its systematic uncertainties, background rate and spectral shape, total exposure, and reactor antineutrino flux uncertainty. We take full advantage of the reactor flux measurement of the Daya Bay collaboration to perform a data driven analysis which is, up to a certain extent, independent of the theoretical un- certainties on the reactor antineutrino flux. We show that, under reasonable assumptions, this experimental setup may provide a competitive measurement of the weak mixing angle at few MeV scale with neutrino-nucleus scattering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Diphotons, new vacuum angles, and strong CP

The Standard Model contains a well-understood, natural, spin-0 diphoton resonance: the π 0 . Numerous studies have pointed out that the hint of a new diphoton resonance at 750 GeV could be a pion analog, identified with the pseudo-Nambu-Goldstone boson of a chiral symmetry spontaneously broken by new strong dynamics at the TeV scale. These “hypercolor” models are generically expected to violate parity through a topological angle θ ~ . We discuss the physics of θ ~ and its impact on the phenomenology of the new sector. We also describe some of the theoretical implications of a nonzero θ ~ . In particular, θ ~ can generate an O(1) threshold correction to the QCD vacuum angle θ near the TeV scale, sharply constraining ultraviolet solutions to the strong CP problem. Furthermore, finding that θ ~ is small may be interpreted as evidence in favor of UV solutions to strong CP, particularly those based on spontaneously broken P or CP symmetries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Measurement of the angle between jet axes in pp collisions at $ \sqrt{s}$ = 5.02 TeV

This article reports measurements of the angle between differently defined jet axes in pp collisions at $\sqrt{s}$ = 5.02 TeV carried out by the ALICE Collaboration. Charged particles at midrapidity are clustered into jets with resolution parameters R = 0.2 and 0.4. The jet axis, before and after Soft Drop grooming, is compared to the jet axis from the Winner-Takes-All (WTA) recombination scheme. The angle between these axes, ΔR axis , probes a wide phase space of the jet formation and evolution, ranging from the initial high-momentum-transfer scattering to the hadronization process. The ΔR axis observable is presented for 20 < $p^{ch jet}_{T}$ < 100 GeV/c, and compared to predictions from the PYTHIA 8 and Herwig 7 event generators. The distributions can also be calculated analytically with a leading hadronization correction related to the non-perturbative component of the Collins-Soper-Sterman (CSS) evolution kernel. Comparisons to analytical predictions at next-to-leading-logarithmic accuracy with leading hadronization correction implemented from experimental extractions of the CSS kernel in Drell-Yan measurements are presented. The analytical predictions describe the measured data within 20% in the perturbative regime, with surprising agreement in the non-perturbative regime as well. These results are compatible with the universality of the CSS kernel in the context of jet substructure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Measurement of the CKM angle $γ$ using $B^0 → DK^{*0}$ with $D → K_S^0π^+π^-$ decays

A model-dependent amplitude analysis of the decay $B^0 → D(K_S^0π^+π^-)K^{*0}$ is performed using proton-proton collision data corresponding to an integrated luminosity of 3.0 fb -1 , recorded at $\sqrt{s} = 7$ and 8 TeV by the LHCb experiment. The $CP$ violation observables $x±$ and $y±$, sensitive to the CKM angle $γ$, are measured to be x − = − 0.15 ± 0.14 ± 0.03 ± 0.01 , y − = 0.25 ± 0.15 ± 0.06 ± 0.01 , x + = 0.05 ± 0.24 ± 0.04 ± 0.01 , y + = − 0.65 − 0.23 + 0.24 ± 0.08 ± 0.01 , where the first uncertainties are statistical, the second systematic and the third arise from the uncertainty on the $D → K_S^0π^+π^-$ amplitude model. These are the most precise measurements of these observables. They correspond to $γ$ = $(80^{+21}_{-22})$° and $r_{B^0}$ = 0.39 ± 0.13, where $r_{B^0}$ is the magnitude of the ratio of the suppressed and favoured $B^0 → DK^+π^-$ decay amplitudes, in a Kπ mass region of ±50 MeV around the $K*(892)^0$ mass and for an absolute value of the cosine of the $K{*0}$ decay angle larger than 0.4.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Ising-Type Single-Segment Ferromagnetic Nanowire with Core/Shell: the Dependences of the Angle, Temperature, and Geometry

The hysteresis properties of a nanostructure are affected by many factors, such as the material of the nanostructure, the shape and size of the nanostructure, the orientation of the magnetizing field. In the present study, the influence of angle, temperature, and geometry on an Ising-type single-segment ferromagnetic nanowire with core/shell are studied by the effective-field theory with correlations. The behavior of the coercivity is presented by means of phase diagrams in the seven different planes and detected the magnetic characteristics of the nanowire. We find that the magnetic hardness decreases as the angle and temperature increase. We also observe that hysteresis behaviors of ferromagnetic nanowire have strong dependence on interlayer length, shell length, and wire length.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Polarization Amplitude-Based Method of Determining the Bearing and Roll Angles of an Object in Motion from Orthogonal Circularly Polarized Signals of a Radio Beacon

The possibility of determining the bearing and roll angles of an object in motion is investigated based on orthogonal left- and right-hand circularly polarized signals simultaneously radiated by a radio beacon from two points with the known coordinates spatially spaced in the horizontal plane. The bearing and roll angles are determined onboard the object in motion using a two-channel receiving system based on polarization amplitude-based processing of resultant vector signals received in a linear polarization basis.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Effects of Nozzle Radial Position, Separation Angle, and Gas Flow Partitioning on the Mixing, Eye Area, and Wall Shear Stress in Ladles Fitted with Dual Plugs

Mixing time, slag eye area, and wall shear stress in a ladle fitted with dual plugs have been studied as a function of operating variables, namely, gas flow rate, radial nozzle position, separation angle between nozzles and flow rate partitioning. While the mixing time and slag eye area have been experimentally investigated in a scaled water model (with and without a top slag layer), the shear stress on the vessel wall has been studied computationally via a RANS-based turbulent, three-dimensional coupled Eulerian–Lagrangian (VOF-DPM), multiphase flow model. Experimental and computational results have indicated that the mixing, eye area, and wall shear stress depend on the gas flow rate, i.e., while mixing efficiency increases with the increasing gas flow rate, the slag eye area, and wall shear stress, in contrast, become more pronounced with the increasing gas flow, leading to an undesirable operating regime. The radial nozzle position, separation angle between the nozzles and flow rate partitioning at any given flow rate also influence the ladle process performance, influencing the mixing, eye area, and wall shear stress, albeit to a varied degree. Within the range of operating conditions studied, an expected inverse correspondence between mixing time and shear behavior was observed. Experimental and computational results in conjunction have indicated that the best arrangement of porous plugs or gas injection nozzles for superior ladle process performance is dependent on the gas flow rate and is specific to the desired objective (i.e., decreasing the mixing time, or slag eye area and wall shear stress). Hence, a unique gas injection practice cannot and should not be suggested as the optimum for ladle metallurgy in steelmaking. Nevertheless, if the mixing time is the parameter of primary interest, a nozzle configuration with equal flow partitioning (1:1) between the nozzles and identical nozzle radial positions (0.7R/0.7R, 45 deg) should suffice for both low and high gas flow rates. In contrast, a nonidentical nozzle radial position (0.7R/0.5R, 90 deg) and an unequal gas flow rate per nozzle (1:3) appear preferable if both ladle eye and shear stresses, rather than mixing, are the issues of concern.

36 MATERIALS SCIENCE↗

DOE OSTI2018

The Effect of Flowing Velocity and Impact Angle on the Fluid-Accelerated Corrosion of X65 Pipeline Steel in a Wet Gas Environment Containing CO{sub 2}

This study investigated the effect of flowing velocity and impact angle on the fluid-accelerated corrosion (FAC) of X65 pipeline steel in a wet CO{sub 2}-containing environment by corrosion morphology analysis, electrochemical measurement, and hydromechanical numerical analysis. It has been found that the corrosion behavior was controlled by the ion diffusion rate and shear stress due to the flowing gas. With an increase in the flowing velocity, the pitting corrosion initially decreased and then increased when the flowing velocity exceeded 14 m/s; this increase is caused by the augmentation of shear stress. When the impact angle decreased, the position of serious corrosion gradually moved outwards.

36 MATERIALS SCIENCE↗

DOE OSTI2025

On the distribution of stacking faults at dissociated medium-angle grain boundaries: Crystallographic geometry and metastability

Grain boundaries in FCC metals with low stacking-fault energy can form in dissociated configurations of stacking faults. Perhaps the most studied example is 9R stacking at boundaries near Σ3{112}, where the distribution of stacking faults is related to the emission of Shockley partial dislocations. Here, we combine atomic-resolution electron microscopy, atomistic simulations, and dislocation theory to demonstrate that boundaries vicinal to Σ33a support the stabilization of dissociated 9R stacking within a narrow range of inclinations. This boundary is interesting since its misorientation (20.05°) lies in the medium-angle regime, just past the upper misorientation limit for low-angle boundaries, motivating questions for how best to describe it in terms of dislocations. Our HAADF-STEM observations of thin film bicrystals, supported by atomistic modeling, reveal that this inclination dependence arises from specific geometric constraints on the arrangement of Shockley partial dislocations at the interface. Quantification of stacking-fault distributions across multiple boundaries indicates that the density and spacing of faults closely follow the ideal 9R motif, with subtle variations reflecting the complex energy landscape of these boundaries. Through energetic analysis, we establish the presence of competing metastable states enabled by variations in stacking sequences, emphasizing the significant role of crystallographic geometry. We generalize our analysis as a function of misorientation, showing how 9R at the Σ33a boundary is related to previous observations and calculations of HCP at a 29.7° boundary. This study provides a crystallographically grounded framework connecting dislocation structures, stacking-fault distributions, and metastability at grain boundaries in FCC metals.

Atomistic modeling↗

DOE OSTI2013

A different method for calculation of the deflection angle of light passing close to a massive object by Fermat’s principle

We introduce a method for calculating the amount of deflection angle of light passing close to a massive object. It is based on Fermat’s principle. The varying refractive index of medium around the massive object is obtained from the Buckingham pi-theorem. Highlights: •A different and simpler method for the calculation of deflection angle of light. •Not a curved space, only 2-D Euclidean space. •Getting a varying refractive index from the Buckingham pi-theorem. •Obtaining the some results of general relativity from Fermat’s principle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Differentiating Structural Changes of Glycoproteins in Solution using Small Angle Scattering Analysis

Alpha 1-Antitrypsin (A1AT) and Fibrinogen are plasma glycoproteins with different, but specific biological functions. A1AT (which forms part of the serpin family) has been shown to have protective roles of lung cells against emphysema, a disease characterized by lung tissue destruction, while fibrinogen is a major factor in the blood clotting process. While biologically distinct, the two proteins present similarities in biophysical studies due to their size and polymerization tendency. Previous approximations, using radius of gyration analysis (shape independent), have shown that there is a phase transition for A1AT under osmotic stress. The goals of this study are to better understand: the stability of A1AT's native conformation when its environment deviates from physiological conditions; and the effects on fibrin's final structure as fibrinogen undergoes polymerization under different conditions. Environmental variables include osmotic stress, crowding, and presence of other molecules (e.g. lipids, catalytic enzyme thrombin, or cholesterol) found in plasma. The method used to assess the stability of the native conformation was to observe changes in the structural envelope of the protein. Static and dynamic small angle x-ray scattering (SAXS) and small angle neutron scattering (SANS) experiments of the proteins in solution were conducted for this purpose. Scattering data was fitted using various shape dependent models in SASView. Pair distance functions (PDF) were used to validate any changes identified by the model fits. Multi-variable phase diagrams were constructed from the fitting results in order to quantify structural and conformational changes of the proteins.

Segally, Taylor N.↗

DOE OSTI2017

Structural studies of Neurospora crassa LPMO9D and redox partner CDHIIA using neutron crystallography and small-angle scattering

Sensitivity to hydrogen/deuterium and lack of observable radiation damage makes cold neutrons an ideal probe the structural studies of proteins with highly photosensitive groups such as the copper center of lytic polysaccharide monooxygenases (LPMOs) and flavin adenine dinucleotide (FAD) and heme redox cofactors of cellobiose dehydrogenases (CDHs). In this paper, neutron crystallography and small-angle neutron scattering are used to investigate Neurospora crassa LPMO9D (NcLPMO9D) and CDHIIA (NcCDHIIA), respectively. The presence of LPMO greatly enhances the efficiency of commercial glycoside hydrolase cocktails in the depolymerization of cellulose. LPMOs can receive electrons from CDHs to activate molecular dioxygen for the oxidation of cellulose resulting in chain cleavage and disruption of local crystallinity. Using neutron protein crystallography, the hydrogen/deuterium atoms of NcLPMO9D could be located throughout the structure. At the copper active site, the protonation states of the side chains of His1, His84, His157 and Tyr168, and the orientation of water molecules could be determined. Small-angle neutron scattering measurements provided low resolution models of NcCDHIIA with both the dehydrogenase and cytochrome domains in oxidized states that exhibited elongated conformations. Finally, this work demonstrates the suitability of neutron diffraction and scattering for characterizing enzymes critical to oxidative cellulose deconstruction.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Influence of fiber inclination angle on bond-slip behavior of different alkali-activated composites under dynamic and quasi-static loadings

This study investigates the influence of inclination angle (0° and 45°) on the interfacial bond-slip behavior of macro steel fibers (straight, hooked end-deformed and length-deformed) and length-deformed polypropylene fibers reinforced in fly-ash and metakaolin based alkali-activated composites (AACs) under quasi-static and dynamic loadings. AACs demonstrate superior peak bond strength and toughness compared to cement composites regardless of fiber type and loading rate. Results also show that straight steel fiber exhibits a complete pullout in AACs. The amount of deformation of the fibers (deformation ratio) determined the failure type at different inclination angle and loading rate, thus governing the peak load and energy absorption. Depending on the fiber orientation, premature fiber rupture or matrix cracking is observed under dynamic loading in AACs due to matrix brittleness. The fiber failure modes in dynamic pullout are no different from those observed in the quasi-static pullout in AACs.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Data-driven surrogate modeling of hPIC ion energy-angle distributions for high-dimensional sensitivity analysis of plasma parameters' uncertainty

In this work, we present a data-driven strategy for effective construction of a surrogate model in high-dimensional parameter space for the ion energy-angle distribution (IEAD) output of hPIC simulations of plasma-surface interactions. The methodology is based on a bin-by-bin least-squares fitting of the IEAD in the parameter space. The fitting is performed in a transformed coordinate system to normalize the IEAD, and it employs sparse grids for sampling the parameter space to overcome sampling challenges in high dimensions. The surrogate model is significantly cheaper computationally than direct hPIC simulations yet maintains high fidelity to them, providing a fast emulator for hPIC simulations. Sensitivity analysis based on the surrogate model is utilized to characterize the dependence of the ion impact angle and energy moments on the physical parameters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗