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At least 1,387 records · Page 77

A configurational force for adaptive re-meshing of gradient-enhanced poromechanics problems with history-dependent variables

Here, we introduce a mesh-adaption framework that employs a multi-physical configurational force and Lie algebra to capture multiphysical responses of fluid-infiltrating geological materials while maintaining the efficiency of the computational models. To resolve sharp gradients of both displacement and pore pressure, we introduce an energy-estimate-free re-meshing criterion by extending the configurational force theory to consider the energy dissipation due to the fluid diffusion and the gradient-dependent plastic flow. To establish new equilibria after remeshing, the local tensorial history-dependent variables at the integration points are first decomposed into spectral forms. Then, the principal values and directions are projected onto smooth fields interpolated by the basis function of the finite element space via the Lie-algebra mapping. Our numerical results indicate that this Lie algebra operator in general leads to a new trial state closer to the equilibrium than the ones obtained from the tensor component mapping approach. A new configurational force for dissipative fluid-infiltrating porous materials that exhibit gradient-dependent plastic flow is introduced such that the remeshing may accommodate the need to resolve the sharp pressure gradient as well as the strain localization. The predicted responses are found to be not influenced by the mesh size due to the micromorphic regularization, while the adaptive meshing enables us to capture the width of deformation bands without the necessity of employing fine mesh everywhere in the domain.

42 ENGINEERING↗

Intrinsic size dependent plasticity in BCC micro-pillars under uniaxial tension and pure torsion

The mechanical behavior of submicron body-centered cubic (BCC) micro-pillars is investigated by three-dimensional dislocation dynamics (DD) simulations to better understand the governing mechanisms for size dependent plasticity under uniaxial tension and pure torsion. A formula is developed to compute the incremental plastic twist due to dislocation motion in DD simulations. The DD simulations show that different dislocation microstructures are created depending on the loading conditions, which leads to different size dependent mechanical behavior. While in tension plasticity is mainly governed by the kinetics of dislocation motion controlled partly by the surface dislocation sources, plastic flow in torsion is controlled by dislocation pile-ups associated with strain gradients. The simulation results also reveal a Bauschinger effect and plastic recovery under cyclic twist, which have been observed in recent experiments.

36 MATERIALS SCIENCE↗

Dependence of the kinetic energy absorption capacity of bistable mechanical metamaterials on impactor mass and velocity

Using an alternative mechanism to dissipation or scattering, bistable structures and mechanical metamaterials have shown promise for mitigating the detrimental effects of impact by reversibly locking energy into strained material. Herein, we extend prior works on impact absorption via bistable metamaterials to computationally explore the dependence of kinetic energy transmission on the velocity and mass of the impactor, with strain rates exceeding 10 2 s –1 . We observe a large dependence on both impactor parameters, ranging from significantly better to worse performance than a comparative linear material. We then correlate the variability in performance to solitary wave formation in the system and give analytical estimates of idealized energy absorption capacity under dynamic loading. In addition, we find a significant dependence on damping accompanied by a qualitative difference in solitary wave propagation within the system. The complex dynamics revealed in this study offer potential future guidance for the application of bistable metamaterials to applications including human and engineered system shock and impact protection devices.

42 ENGINEERING↗

Constitutive modeling of δ-phase zircaloy hydride based on strain rate dependent nanoindentation and nano-scale impact dataset

In this work, a constitutive model for zircaloy-4 embedded with δ-phase hydride rim/blister structures (δ-phase zircaloy hydride) is presented. Nanoindentation and nano-scale impact experiments were performed on the δ-hydride blisters as a function of temperature in order to obtain strain rate dependent location specific constitutive response. A power law viscoplastic constitutive model was chosen to represent the strain rate dependent behavior. The strength coefficient and the strain hardening exponent in the power law relation were found to decrease with increase in temperature indicating softening behavior at higher temperatures. The strain rate exponent remained constant with increase in temperature indicating that the rate dependent ductility does not change significantly at higher temperatures. A finite element method based model was created to analyze the failure behavior and the ductile to brittle transition in zircaloy hydride. The model predicted that fracture strength of δ-phase zircaloy hydride decreases linearly with increase in temperature.

36 MATERIALS SCIENCE↗

Curcumin Regulates Low-Linear Energy Transfer {gamma}-Radiation-Induced NF{kappa}B-Dependent Telomerase Activity in Human Neuroblastoma Cells

Purpose: We recently reported that curcumin attenuates ionizing radiation (IR)-induced survival signaling and proliferation in human neuroblastoma cells. Also, in the endothelial system, we have demonstrated that NF{kappa}B regulates IR-induced telomerase activity (TA). Accordingly, we investigated the effect of curcumin in inhibiting IR-induced NF{kappa}B-dependent hTERT transcription, TA, and cell survival in neuroblastoma cells. Methods and Materials: SK-N-MC or SH-SY5Y cells exposed to IR and treated with curcumin (10-100 nM) with or without IR were harvested after 1 h through 24 h. NF{kappa}B-dependent regulation was investigated either by luciferase reporter assays using pNF{kappa}B-, pGL3-354-, pGL3-347-, or pUSE-I{kappa}B{alpha}-Luc, p50/p65, or RelA siRNA-transfected cells. NF{kappa}B activity was analyzed using an electrophoretic mobility shift assay and hTERT expression using the quantitative polymerase chain reaction. TA was determined using the telomerase repeat amplification protocol assay and cell survival using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltertrazolium bromide and clonogenic assay. Results: Curcumin profoundly inhibited IR-induced NF{kappa}B. Consequently, curcumin significantly inhibited IR-induced TA and hTERT mRNA at all points investigated. Furthermore, IR-induced TA is regulated at the transcriptional level by triggering telomerase reverse transcriptase (TERT) promoter activation. Moreover, NF{kappa}B becomes functionally activated after IR and mediates TA upregulation by binding to the {kappa}B-binding region in the promoter region of the TERT gene. Consistently, elimination of the NF{kappa}B-recognition site on the telomerase promoter or inhibition of NF{kappa}B by the I{kappa}B{alpha} mutant compromises IR-induced telomerase promoter activation. Significantly, curcumin inhibited IR-induced TERT transcription. Consequently, curcumin inhibited hTERT mRNA and TA in NF{kappa}B overexpressed cells. Furthermore, curcumin enhanced the IR-induced inhibition of cell survival. Conclusions: These results strongly suggest that curcumin inhibits IR-induced TA in an NF{kappa}B dependent manner in human neuroblastoma cells.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Apolipoprotein E Genotype-Dependent Paradoxical Short-Term Effects of {sup 56}Fe Irradiation on the Brain

Purpose: In humans, apolipoprotein E (apoE) is encoded by three major alleles ({epsilon}2, {epsilon}3, and {epsilon}4) and, compared to apoE3, apoE4 increases the risk of developing Alzheimer disease and cognitive impairments following various environmental challenges. Exposure to irradiation, including that of {sup 56}Fe, during space missions poses a significant risk to the central nervous system, and apoE isoform might modulate this risk. Methods and Materials: We investigated whether apoE isoform modulates hippocampus-dependent cognitive performance starting 2 weeks after {sup 56}Fe irradiation. Changes in reactive oxygen species (ROS) can affect cognition and are induced by irradiation. Therefore, after cognitive testing, we assessed hippocampal ROS levels in ex vivo brain slices, using the ROS-sensitive fluorescent probe, dihydroethidium (DHE). Brain levels of 3-nitrotyrosine (3-NT), CuZn superoxide dismutase (CuZnSOD), extracellular SOD, and apoE were assessed using Western blotting analysis. Results: In the water maze, spatial memory retention was impaired by irradiation in apoE2 and apoE4 mice but enhanced by irradiation in apoE3 mice. Irradiation reduced DHE-oxidation levels in the enclosed blade of the dentate gyrus and levels of 3-NT and CuZnSOD in apoE2 but not apoE3 or apoE4 mice. Finally, irradiation increased apoE levels in apoE3 but not apoE2 or apoE4 mice. Conclusions: The short-term effects of {sup 56}Fe irradiation on hippocampal ROS levels and hippocampus-dependent spatial memory retention are apoE isoform-dependent.

60 APPLIED LIFE SCIENCES↗

The Crystal Structure of the Pseudomonas dacunhae Aspartate-[beta]-Decarboxylase Dodecamer Reveals an Unknown Oligomeric Assembly for a Pyridoxal-5′-Phosphate-Dependent Enzyme

The Pseudomonas dacunhae L-aspartate-{beta}-decarboxylase (ABDC, aspartate 4-decarboxylase, aspartate 4-carboxylyase, E.C. 4.1.1.12) is a pyridoxal-5'-phosphate (PLP)-dependent enzyme that catalyzes the {beta}-decarboxylation of L-aspartate to produce L-alanine and CO{sub 2}. This catalytically versatile enzyme is known to form functional dodecamers at its optimal pH and is thought to work in conjunction with an L-Asp/L-Ala antiporter to establish a proton gradient across the membrane that can be used for ATP biosynthesis. We have solved the atomic structure of ABDC to 2.35 {angstrom} resolution using single-wavelength anomalous dispersion phasing. The structure reveals that ABDC oligomerizes as a homododecamer in an unknown mode among PLP-dependent enzymes and has highest structural homology with members of the PLP-dependent aspartate aminotransferase subfamily. The structure shows that the ABDC active site is very similar to that of aspartate aminotransferase. However, an additional arginine side chain (Arg37) was observed flanking the re-side of the PLP ring in the ABDC active site. The mutagenesis results show that although Arg37 is not required for activity, it appears to be involved in the ABDC catalytic cycle.

36 MATERIALS SCIENCE↗

Multi-level Force-dependent Allosteric Enhancement of αE-catenin Binding to F-actin by Vinculin

Classical cadherins are transmembrane proteins whose extracellular domains link neighboring cells, and whose intracellular domains connect to the actin cytoskeleton via β-catenin and α-catenin. The cadherin-catenin complex transmits forces that drive tissue morphogenesis and wound healing. In addition, tension-dependent changes in αE-catenin conformation enables it to recruit the actin-binding protein vinculin to cell-cell junctions, which contributes to junctional strengthening. How and whether multiple cadherin-complexes cooperate to reinforce cell-cell junctions in response to load remains poorly understood. Here, we used single-molecule optical trap measurements to examine how multiple cadherin-catenin complexes interact with F-actin under load, and how this interaction is influenced by the presence of vinculin. We show that force oriented toward the (-) end of the actin filament results in mean lifetimes 3-fold longer than when force was applied towards the barbed (+) end. We also measured force-dependent actin binding by a quaternary complex comprising the cadherin-catenin complex and the vinculin head region, which cannot itself bind actin. Binding lifetimes of this quaternary complex increased as additional complexes bound F-actin, but only when load was oriented toward the (-) end. In contrast, the cadherin-catenin complex alone did not show this form of cooperativity. Furthermore, these findings reveal multi-level, force-dependent regulation that enhances the strength of the association of multiple cadherin/catenin complexes with F-actin, conferring positive feedback that may strengthen the junction and polarize F-actin to facilitate the emergence of higher-order cytoskeletal organization.

59 BASIC BIOLOGICAL SCIENCES↗

Learning macroscopic internal variables and history dependence from microscopic models

This paper concerns the study of history dependent phenomena in heterogeneous materials in a two-scale setting where the material is specified at a fine microscopic scale of heterogeneities that is much smaller than the coarse macroscopic scale of application. Here, we specifically study a polycrystalline medium where each grain is governed by crystal plasticity while the solid is subjected to macroscopic dynamic loads. The theory of homogenization allows us to solve the macroscale problem directly with a constitutive relation that is defined implicitly by the solution of the microscale problem. However, the homogenization leads to a highly complex history dependence at the macroscale, one that can be quite different from that at the microscale. In this paper, we examine the use of machine-learning, and especially deep neural networks, to harness data generated by repeatedly solving the finer scale model to: (i) gain insights into the history dependence and the macroscopic internal variables that govern the overall response; and (ii) to create a computationally efficient surrogate of its solution operator, that can directly be used at the coarser scale with no further modeling. We do so by introducing a recurrent neural operator (RNO), and show that: (i) the architecture and the learned internal variables can provide insight into the physics of the macroscopic problem; and (ii) that the RNO can provide multiscale, specifically FE 2 , accuracy at a cost comparable to a conventional empirical constitutive relation.

36 MATERIALS SCIENCE↗

Line shape parameters of PH 3 transitions in the Pentad near 4–5 μm: Self-broadened widths, shifts, line mixing and speed dependence

Accurate knowledge of spectroscopic line parameters of PH 3 is important for remote sensing of the outer planets, especially Jupiter and Saturn. In a recent study, line positions and intensities for the Pentad bands of PH 3 have been reported from analysis of high-resolution, high signal-to noise room-temperature spectra recorded with two Fourier transform spectrometers (2014) [1]. The results presented in this study were obtained during the analysis of positions and intensities, but here we focus on the measurements of spectral line shapes (e.g. widths, shifts, line mixing) for the 2ν 4 , ν 2 + ν 4 , ν 1 and ν 3 bands. A multispectrum nonlinear least squares curve fitting technique employing a non-Voigt line shape to include line mixing and speed dependence of the Lorentz width was employed to fit the spectra simultaneously. The least squares fittings were performed on five room-temperature spectra recorded at various PH 3 pressures (~2–50 Torr) with the Bruker IFS-125HR Fourier transform spectrometer (FTS) located at the Pacific Northwest National Laboratory (PNNL), in Richland, Washington. Over 840 Lorentz self-broadened half-width coefficients, 620 self-shift coefficients and 185 speed dependence parameters were measured. Line mixing was detected for transitions in the 2ν 4 , ν 1 and ν 3 bands, and their values were quantified for 10 A+A- pairs of transitions via off-diagonal relaxation matrix element formalism. The dependences of the measured half-width coefficients on the J and K rotational quanta of the transitions are discussed. The self-width coefficients for the ν 1 and ν 3 bands from this study are compared to the self-width coefficients for transitions with the same rotational quanta (J, K) reported for the Dyad (ν 2 and ν 4 ) bands. The measurements from present study should be useful for the development of a reliable theoretical modeling of pressure-broadened widths, shifts and line mixing in symmetric top molecules with C 3v symmetry in general, and of PH 3 in particular.

Malathy Devi, V.↗

Gallium composition dependence of crystallographic and thermoelectric properties in polycrystalline type-I Ba{sub 8}Ga{sub x}Si{sub 46-x} (nominal x=14-18) clathrates prepared by combining arc melting and spark plasma sintering methods

The gallium composition dependence of crystallographic and thermoelectric properties in polycrystalline n-type Ba{sub 8}Ga{sub x}Si{sub 46-x} (nominal x=14-18) compounds with the type-I clathrate structure is presented. Samples were prepared by combining arc melting and spark plasma sintering methods. Powder x-ray diffraction, Rietveld analysis, scanning electron microscopy, and energy-dispersive x-ray spectroscopy show that the solubility limit of gallium in the type-I clathrate phase is close to x=15, which is slightly higher than that for a single crystal. The carrier concentration at room temperature decreases from 2 Multiplication-Sign 10{sup 21} cm{sup -3} to 4 Multiplication-Sign 10{sup 20} cm{sup -3} as the Ga content x increases. The Seebeck coefficient, the electrical conductivity, and the thermal conductivity vary systematically with the carrier concentration when the Ga content x varies. The effective mass (2.0m{sub 0}), the carrier mobility (10 cm{sup 2} V{sup -1} s{sup -1}), and the lattice thermal conductivity (1.1 W m{sup -1} K{sup -1}) are determined for the Ga content x=14.51. The dimensionless thermoelectric figure of merit ZT is about 0.55 at 900 K for the Ga content x=14.51. The calculation of ZT using the experimentally determined material parameters predicts ZT=0.8 (900 K) at the optimum carrier concentration of about 2 Multiplication-Sign 10{sup 20} cm{sup -3}. - Graphical abstract: The gallium composition dependence of crystallographic and thermoelectric properties is presented on polycrystalline n-type Ba{sub 8}Ga{sub x}Si{sub 46-x} with the type-I clathrate structure prepared by combining arc melting and spark plasma sintering methods. The thermoelectric figure of merit ZT reaches 0.55 at 900 K due to the increase in the Ga content (close to x=15), and a calculation predicts further improvement of ZT at the optimized carrier concentration. Highlights: Black-Right-Pointing-Pointer Crystallographic properties of Ba{sub 8}Ga{sub x}Si{sub 46-x} clathrates are characterized. Black-Right-Pointing-Pointer Arc melting and spark plasma sintering process enables increase of Ga content. Black-Right-Pointing-Pointer We elucidate the Ga composition dependence of thermoelectric properties. Black-Right-Pointing-Pointer Thermoelectric figure of merit ZT is improved due to the increased Ga content. Black-Right-Pointing-Pointer Calculation predicts a potential ZT=0.8 at 900 K at optimized carrier concentration.

36 MATERIALS SCIENCE↗

Development of crystallographic-orientation-dependent internal strains around a fatigue-crack tip during overloading and underloading

In-situ neutron diffraction was employed to directly measure the crystallographic-orientation-dependent (i.e. hkl) internal strains as a function of distance from the crack tip on the pre-cracked Hastelloy C-2000 compact-tension specimen. Both in-plane (IP) and through-thickness (TT) strain evolutions for various grain orientations were examined during tensile overloading and compressive underloading cycles. After overloading, underloading and their combination loadings were applied and unloaded, the significantly different (hkl) residual strain profiles were obtained in the vicinity of the crack tip. The load responses of the (200) grain orientation in both the IP and TT directions were more significant than those of any other orientations. It is suggested that the different orientation-dependent strain distributions around the crack tip are caused by the combined effects of elastic and plastic anisotropy of each (hkl) reflection upon loading and the subsequent development of residual stresses generated near the crack tip during unloading as a result of the plastic deformation. - Highlights: ► (hkl) strains are examined in situ using neutron diffraction. ► Distinct strain responses are developed around the crack tip under loading. ► The strain response of the (200) grain orientation is more significant. ► Possible mechanisms for the orientation-dependent strain responses are provided.

36 MATERIALS SCIENCE↗

Characteristics of kinetic sprayed Ta in terms of the deposition behavior, microstructural evolution and mechanical properties: Effect of strain-rate-dependent response of Ta at high temperature

Highlights: • The effect of high-temperature rate-dependent response of BCC Ta on the deposition state of kinetic sprayed Ta particles with synergistic effect of powder oxidation • Abnormal increase of dislocation density above certain powder preheating temperature under the lower condition (N{sub 2} carrier gas), whereas considerable occurrence of grain refinement under the higher condition (He carrier gas). • Most significant dislocation density with the smallest volume-averaged domain size under the condition of 600 {sup o}C powder pre-heating with N{sub 2} carrier gas due to characteristic response of Ta. - Abstract: Numerous efforts have been focused on the fundamental research regarding kinetic spraying processes, but previous studies were biased to only few kinds of metallic materials. In particular, for Ta with body-centered cubic crystal structure, systematic studies are currently lacking in the literature. In this study, the characteristic deposition behaviors, microstructures, and mechanical properties of kinetic sprayed Ta under various impact conditions were systematically investigated. Generally, unusual features were usually related to strain-rate-dependent response (i.e. Peierls-Nabarro short range barriers) of Ta at high-temperature. This made thermal softening effect to be saturated above a certain degree of temperature, contributing to inferior deposition efficiency for the pre-heating at 600 °C than those of 400 and 500 °C by creating synergy with powder oxidation. In terms of microstructural evolutions, the dislocation density was abnormally increased at a certain powder preheating temperature (i.e., 600 °C), owing to the strain-rate-dependent response of Ta at high-temperature. On the other hand, grain refinement generated by rotational dynamic recrystallization was mainly observed under the higher kinetic energy condition (He carrier gas) at RT. Especially, the dislocation density and volume-average domain size evaluated via high-resolution X-ray diffraction peak profile analysis were corresponding to the results of the microstructural observations. Additionally, the nanomechanical properties (i.e., nanohardness and elastic modulus) evaluated via nanoindentation tests were in good agreement with the results from transmission electron microscopy investigations.

36 MATERIALS SCIENCE↗

Suppressing heating rate-dependent martensitic stabilization in ductile Cu-Al-Mn shape memory alloys by Ni addition: An experimental and first-principles study

Highlights: • Additional nearest neighbor bond between Ni and Al atoms was produced theoretically in the Cu-Al-Mn-Ni (Ni≤2 at.%) alloys. • Shape memory effect of Cu-Al-Mn alloys heated at 20 K/min was improved from 85% to 92% after the addition of 2 at.% Ni. • Addition of 2 at.% Ni can suppress heating rate-dependent martensitic stabilization in Cu-Al-Mn alloys heated at 0.01 K/min. - Abstract: The present paper aims to suppress the heating rate-dependent martensitic stabilization of ductile Cu-Al-Mn shape memory alloys through restricting the mobility and thus the behavior of vacancies. A combined study based on first-principles calculation and experimental results were presented to unveil the effect of Ni addition into ternary Cu-Al-Mn alloys on the bonding force between atoms. The results showed that additional nearest neighbor bond between Ni and Al atoms in quaternary Cu-Al-Mn-Ni alloys can be produced. The addition of Ni (≤2 at.%) into ternary Cu-Al-Mn alloys can not only efficiently increase the shape memory effect, but also suppress the occurrence of heating rate-dependent martensitic stabilization. The addition of 2 at.% Ni improved the shape memory effect of ternary Cu-Al-Mn alloys from 85% to 92% when heated at 20 k/min. The shape memory effect of ternary Cu-Al-Mn alloys dropped to 10% as the heating rate decreased to 1 K/min, but it remain at 92% even when the heating rate was sufficiently lowered to 0.01 K/min after the addition of 2 at.% Ni.

36 MATERIALS SCIENCE↗

Catalyst and its diameter dependent growth kinetics of CVD grown GaN nanowires

Graphical abstract: GaN nanowires with controlled diameter and aspect ratio has been grown using a simple CVD technique. The growth kinetics of CVD grown nanowires investigated in detail for different catalysts and their diameters. A critical diameter important to distinguish the growth regimes has been discussed in detail. The results are important which demonstrates the growth of diameter and aspect ratio controlled GaN nanowires and also understand their growth kinetics. Highlights: Black-Right-Pointing-Pointer Controlled diameter and aspect ratio of GaN nanowires achieved in simple CVD reactor. Black-Right-Pointing-Pointer Nanowire growth kinetics for different catalyst and its diameters were understood. Black-Right-Pointing-Pointer Adatoms vapor pressure inside reactor plays a crucial role in growth kinetics. Black-Right-Pointing-Pointer Diffusion along nanowire sidewalls dominate for gold and nickel catalysts. Black-Right-Pointing-Pointer Gibbs-Thomson effect dominates for palladium catalyst. -- Abstract: GaN nanowires were grown using chemical vapor deposition with controlled aspect ratio. The catalyst and catalyst-diameter dependent growth kinetics is investigated in detail. We first discuss gold catalyst diameter dependent growth kinetics and subsequently compare with nickel and palladium catalyst. For different diameters of gold catalyst there was hardly any variation in the length of the nanowires but for other catalysts with different diameter a strong length variation of the nanowires was observed. We calculated the critical diameter dependence on adatoms pressure inside the reactor and inside the catalytic particle. This gives an increasing trend in critical diameter as per the order gold, nickel and palladium for the current set of experimental conditions. Based on the critical diameter, with gold and nickel catalyst the nanowire growth was understood to be governed by limited surface diffusion of adatoms and by Gibbs-Thomson effect for the palladium catalyst.

36 MATERIALS SCIENCE↗

Elucidating facet dependent electronic and electrochemical properties of Cu 2 O nanocrystals using AFM/SCEM and DFT

Cuprous oxide (Cu 2 O) has extensively been studied owing to its excellent optical, magnetic, and catalytic properties. Many of these properties are facet-dependent and have not been well elucidated. This work synthesized cubic, cuboctahedral, octahedral, and rhombic dodecahedral shaped Cu 2 O nanocrystals of ~300 nm in size to evaluate the facet-dependent electrochemical activities. Here, cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) were firstly used to reveal the average electrochemical activities at the ensemble level. Atomic force microscopy-scanning electrochemical microscopy (AFM-SECM) was further used to assess the electrochemical activities of different Cu 2 O nanocrystals at the facet level. Hexaammineruthenium (III) chloride ({Ru(NH 3 ) 6 }Cl 3 ) was employed as the probe molecules that reacted with four different Cu 2 O nanocrystals under —400mV and yielded ~300 pA current between the probing tip and the nanocrystal surface. The tip-current mapping results indicate that rhombic dodecahedral Cu 2 O exhibits higher electrocatalytic activity than other shaped Cu 2 O, due to the presence of dominant exposed facet of {110} as indicated by the relatively high tip current. Density-functional theory (DFT) calculations confirmed the facet dependence of local surface energy and electronic structure of Cu 2 O nanocrystals. Besides electrochemical activity, the surface work function and adsorptive properties were both observed to vary with the shape and dominant exposed facets of Cu 2 O. This study presented a unique experimental and computational chemistry approach to analyze surface electrochemical properties of Cu 2 O crystals at a crystalline facet level.

36 MATERIALS SCIENCE↗

Parameter dependencies of the experimental nitrogen concentration required for detachment on ASDEX Upgrade and JET

While current tokamak experiments are beginning to use real-time feedback control systems to manage the plasma exhaust, future tokamaks still require validation of theoretical models used to predict the threshold impurity concentration required to sufficiently reduce the power and particle fluxes to the divertor. This work exploits new spectroscopic measurements of the divertor nitrogen concentration, c n , in partially detached N 2 -seeded H-mode plasmas on ASDEX Upgrade (AUG) and JET with the ITER-Like Wall (JET-ILW) to test the parameter dependencies of the power flowing to the outer divertor, P div,outer , and the separatrix electron density, n e.sep . A least-squares regression of the AUG measurements demonstrates that the threshold c n required for detachment scales as $c_n∝P^{1.19±0.32}_{div,outer}n^{-2.77±0.36}_{e,sep}$. This scaling of n e,sep is also consistent with the measurements from JET which, at constant P div,outer , show $c_n∝n^{-2.43±0.27}_{e,sep}$. The dependencies of P div,outer and n e.sep is demonstrated over at least a factor of two change in both parameters and indicates a stronger dependence on n e.sep in comparison to the Lengyel model, which could be due to the assumption in this model that the heat flux channel width is independent of density. This first assessment of detachment scaling with impurity seeding highlights the need for further analysis of the systematic uncertainties of the measurement and more consistent scenarios from more tokamaks to investigate the machine size scaling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Two-gluon correlations in heavy–light ion collisions: Energy and geometry dependence, IR divergences, and k T -factorization

Here, we study the properties of the cross section for two-gluon production in heavy–light ion collisions derived in our previous paper in the saturation/Color Glass Condensate framework. Concentrating on the energy and geometry dependence of the corresponding correlation functions we find that the two-gluon correlator is a much slower function of the center-of-mass energy than the one- and two-gluon production cross sections. The geometry dependence of the correlation function leads to stronger azimuthal near- and away-side correlations in the tip-on-tip U + U collisions than in the side-on-side U + U collisions, an exactly opposite behavior from the correlations generated by the elliptic flow of the quark–gluon plasma: a study of azimuthal correlations in the U + U collisions may thus help to disentangle the two sources of correlations. We demonstrate that the cross section for two-gluon production in heavy–light ion collisions contains a power-law infrared (IR) divergence even for fixed produced gluon momenta: while saturation effects in the target regulate some of the power-law IR-divergent terms in the lowest-order expression for the two-gluon correlator, other power-law IR-divergent terms remain, possibly due to absence of saturation effects in the dilute projectile. Finally we rewrite our result for the two-gluon production cross-section in a k T -factorized form, obtaining a new factorized expression involving a convolution of one- and two-gluon Wigner distributions over both the transverse momenta and impact parameters. Lastly, we show that the two-gluon production cross-section depends on two different types of unintegrated two-gluon Wigner distribution functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗