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At least 757 records · Page 42

Use of Optical Microscopy to Examine Crystallite Nucleation and Growth in Thermally Annealed Plasma Enhanced Chemical Vapor Deposition and Hot Wire Chemical Vapor Deposition a-Si:H Films

We report a simple method to investigate crystallite nucleation and growth in stepwise, thermally annealed plasma enhanced chemical vapor deposition and hot wire chemical vapor deposition a-Si:H films. By confining film thicknesses to the range 500-4000 {angstrom}, optical microscopy in the reflection mode can be used to readily detect crystallites in the thermally annealed a-Si:H lattice. Measurements of the crystallite density versus annealing time for identically prepared films of different thickness show that the crystallite nucleation rate is smaller for thinner films, suggesting that crystallite nucleation is homogeneous, in agreement with previous results. A comparison of film nucleation rates with those obtained by other methods on identically prepared films shows excellent agreement, thus establishing the validity of the current technique. The potential effect of impurity (oxygen) incorporation during the stepwise annealing in air is shown not to affect crystallite nucleation and growth, in that SIMS oxygen profiles for stepwise versus continuous annealing show not only similar impurity profiles but also similar bulk impurity densities.

14 SOLAR ENERGY↗

Investigating the effects of electron bounce-cyclotron resonance on plasma dynamics in capacitive discharges operated in the presence of a weak transverse magnetic field

Recently, Patil et al. [Phys. Rev. Res. 4, 013059 (2022)] have reported the existence of an enhanced operating regime when a low-pressure (5 mTorr) capacitively coupled discharge (CCP) is driven by a very high radio frequency (60 MHz) source in the presence of a weak external magnetic field applied parallel to its electrodes. Their particle-in-cell simulations show that a significantly higher bulk plasma density and ion flux can be achieved at the electrode when the electron cyclotron frequency equals half of the applied radio frequency for a given fixed voltage. In the present work, we take a detailed look at this phenomenon and further delineate the effect of this “electron bounce-cyclotron resonance (EBCR)” on the electron and ion dynamics of the system. We find that the ionization collision rate and stochastic heating are maximum under resonance condition. The electron energy distribution function also indicates that the population of tail-end electrons is highest for the case where EBCR is maximum. Formation of electric field transients in the bulk plasma region is also seen at lower values of applied magnetic field. Finally, we demonstrate that the EBCR-induced effect is a low-pressure phenomenon and weakens as the neutral gas pressure increases. The potential utility of this effect to advance the operational performance of CCP devices for industrial purposes is discussed in this report.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Endogeic earthworm densities increase in response to higher fine-root production in a forest exposed to elevated CO 2

Net primary productivity (NPP) influences soil food webs and ultimately the amount of carbon (C) inputs in ecosystems. Earthworms can physically protect organic matter from rapid mineralization through the formation of soil aggregates. Previous studies at the Oak Ridge National Laboratory (ORNL) Free Air CO 2 Enrichment (FACE) experiment showed that elevated [CO 2 ] (e[CO 2 ]) increased fine-root production and increased soil C through soil aggregation compared to ambient [CO 2 ] (a[CO 2 ]) conditions. Our first objective was to study the response of earthworms to increased leaf and root-litter inputs caused by increased atmospheric [CO 2 ] exposure. Here, we also took advantage of the CO 2 shutdown at the ORNL FACE site to track the shift of the δ 13 C signal in leaf-litter, fine roots, earthworms, earthworm casts, and bulk soil. Densities of the most abundant endogeic earthworm, Diplocardia spp., were positively correlated with the previous-year production of leaf litter (r=0.66, P=0.02) and fine roots (r=0.62, P=0.03); and with the leaf-litter production (r=0.63, P=0.03) and fine-root production (r=0.59, P=0.05) two years before earthworms were sampled. Within two years after the CO 2 fumigation ceased, the 13 C/ 12 C ratio increased in leaf litter (P=0.01) and in fine roots (P=0.05), showing an ecosystem legacy effect on soil C inputs. However, the C isotopic composition of soil, endogeic earthworms and casts had not changed the two years after the CO 2 fumigation ended. The positive response of earthworms to increased root NPP, caused by elevated [CO 2 ], is consistent with the increased soil aggregate formation and increased soil C at the ORNL FACE in the e[CO 2 ] treatment.

54 ENVIRONMENTAL SCIENCES↗

Absence of a bulk signature of a charge density wave in hard x-ray measurements of UTe 2

The long-sought pair density wave (PDW) is an exotic phase of matter in which charge density wave (CDW) order is intertwined with the amplitude or phase of coexisting, superconducting order. Originally predicted to exist in copper-oxides, circumstantial evidence for PDW order now exists in a variety of materials. Recently, scanning tunneling microscopy (STM) studies have reported evidence for a three-component CDW at the surface of the heavy-fermion superconductor, UTe 2 , persisting below its superconducting transition temperature [Aishwarya et al., Nature 618, 928933 (2023); Gu et al., Nature 618, 921927 (2023); LaFleur et al., Nat. Commun. 15, 4456 (2024)]. Here, in this study, we use hard x-ray diffraction measurements on crystals of UTe 2 at 𝑇 = 1.9 and 12 K to search for a bulk signature of this CDW. Using STM measurements as a constraint, we calculate the expected locations of CDW superlattice peaks and sweep a large volume of reciprocal space in search of a signature. We fail to find any evidence for a CDW near any of the expected superlattice positions in many Brillouin zones. We estimate an upper bound on the CDW lattice distortion of 𝑢 max ≲ 4×10 −3 Å. Our results suggest that the CDW observed in STM is either purely electronic, somehow lacking a signature in the lattice, or is restricted to the material surface.

Kengle, Caitlin S.↗

Opto-mechano-fluidic viscometer

The recent development of opto-mechano-fluidic resonators has provided—by harnessing photon radiation pressure—a microfluidics platform for the optical sensing of fluid density and bulk modulus. Here, we show that fluid viscosity can also be determined through optomechanical measurement of the vibrational noise spectrum of the resonator mechanical modes. A linear relationship between the spectral linewidth and root-viscosity is predicted and experimentally verified in the low viscosity regime. Our result is a step towards multi-frequency measurement of viscoelasticity of arbitrary fluids, without sample contamination, using highly sensitive optomechanics techniques.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effect of native oxide layers on copper thin-film tensile properties: A reactive molecular dynamics study

Metal-oxide layers are likely to be present on metallic nano-structures due to either environmental exposure during use, or high temperature processing techniques such as annealing. It is well known that nano-structured metals have vastly different mechanical properties from bulk metals; however, difficulties in modeling the transition between metallic and ionic bonding have prevented the computational investigation of the effects of oxide surface layers. Newly developed charge-optimized many body [Liang et al., Mater. Sci. Eng., R 74, 255 (2013)] potentials are used to perform fully reactive molecular dynamics simulations which elucidate the effects that metal-oxide layers have on the mechanical properties of a copper thin-film. Simulated tensile tests are performed on thin-films while using different strain-rates, temperatures, and oxide thicknesses to evaluate changes in yield stress, modulus, and failure mechanisms. Findings indicate that copper-thin film mechanical properties are strongly affected by native oxide layers. The formed oxide layers have an amorphous structure with lower Cu-O bond-densities than bulk CuO, and a mixture of Cu{sub 2}O and CuO charge character. It is found that oxidation will cause modifications to the strain response of the elastic modulii, producing a stiffened modulii at low temperatures (<75 K) and low strain values (<5%), and a softened modulii at higher temperatures. While under strain, structural reorganization within the oxide layers facilitates brittle yielding through nucleation of defects across the oxide/metal interface. The oxide-free copper thin-film yielding mechanism is found to be a tensile-axis reorientation and grain creation. The oxide layers change the observed yielding mechanism, allowing for the inner copper thin-film to sustain an FCC-to-BCC transition during yielding. The mechanical properties are fit to a thermodynamic model based on classical nucleation theory. The fit implies that the oxidation of the films reduces the activation volume for yielding.

36 MATERIALS SCIENCE↗

A DIRECT MEASUREMENT OF THE LINEAR BIAS OF MID-INFRARED-SELECTED QUASARS AT z ≈ 1 USING COSMIC MICROWAVE BACKGROUND LENSING

We measure the cross-power spectrum of the projected mass density as traced by the convergence of the cosmic microwave background lensing field from the South Pole Telescope (SPT) and a sample of Type 1 and 2 (unobscured and obscured) quasars at (z) ∼ 1 selected with the Wide-field Infrared Survey Explorer, over 2500 deg{sup 2}. The cross-power spectrum is detected at ≈7σ, and we measure a linear bias b = 1.61 ± 0.22, consistent with clustering analyses. Using an independent lensing map, derived from Planck observations, to measure the cross-spectrum, we find excellent agreement with the SPT analysis. The bias of the combined sample of Type 1 and 2 quasars determined in this work is similar to that previously determined for Type 1 quasars alone; we conclude that obscured and unobscured quasars trace the matter field in a similar way. This result has implications for our understanding of quasar unification and evolution schemes.

79 ASTRONOMY AND ASTROPHYSICS↗

High-pressure crystal structure and equation of state of ferromagnesian jeffbenite: implications for stability in the transition zone and uppermost lower mantle

Jeffbenite, ideally Mg 3 Al 2 Si 3 O 12 , has been identified as inclusions in super-deep diamonds originating from depths that exceed 300 km. Although Mg-end member jeffbenite has limited stability at upper-mantle conditions, iron-bearing jeffbenite may have broader P–T stability that extends to the transition zone or uppermost lower mantle, incorporating significant amounts of ferric iron. Using synchrotron-based, single-crystal X-ray diffraction (XRD) and synchrotron Mössbauer spectroscopy (SMS) at pressures up to 29 GPa, we report the crystal structure, compressibility, and likely spin transition of iron in ferromagnesian jeffbenite (Mg 2.32 Al 0.03 Fe 2+ 1.28 Fe 3+ 1.77 Si 2.85 O 12 ). High-pressure structure refinements reveal that Fe 3+ substitution for Si in the T2 site, which shares edges with the M2 octahedron, likely stabilizes jeffbenite at high pressure, because it increases the cation-to-cation distance between these sites. Although ferromagnesian jeffbenite does not undergo a structural phase transition below 30 GPa, SMS hyperfine parameters suggest the onset of an electronic spin transition of iron from high-spin (HS) to low-spin (LS) at around 22 GPa, which may increase its stability at high pressures. Pressure–volume data were fit to a third order Birch–Murnaghan equation of state, resulting in V o = 816.54(9), K To = 181.54(1.39), and K' T0 = 2.76(14). These equation of state parameters are applicable to evaluating the encapsulation pressures of super-deep diamonds. The density and bulk modulus of ferromagnesian jeffbenite are similar to or higher than pyrope–almandine, pyrope–majorite, and skiagite–majorite solid solution garnets, further suggesting that jeffbenite may be an important ferric–iron silicate in the deeper parts of the mantle transition zone and uppermost lower mantle. Furthermore, future studies on the influence of temperature and oxidation state on the stability and equations of state of iron-bearing jeffbennite are still needed to determine what role, if any, jeffbenite plays in transition-zone mineralogy.

58 GEOSCIENCES↗

Enhancement of Critical Current Density of MgB{sub 2} by Glutaric Acid Doping: a Simultaneous Improvement on the Intrinsic and Extrinsic Properties

In this study, we report an enhancement of critical current density of bulk MgB{sub 2} superconductors by glutaric acid (C{sub 5}H{sub 8}O{sub 4}) doping. The effects of glutaric acid doping on MgB{sub 2} lattice resulted in a record self-field J{sub c} of the order of 10{sup 6} A/cm{sup 2}. A simultaneous improvement in the connectivity, pinning force, and H{sub c2} is the major factor that determined excellent J{sub c} performance. X-ray diffraction analysis showed that samples were single-phase MgB{sub 2} with a minor trace of impurities. A dramatic change in grain morphology and homogeneity in grain distribution was found in the SEM images of doped samples. We observed that homogeneity in grain distribution played a crucial role in the connectivity and the upper critical field (H{sub c2}) of the doped samples. We were able to introduce a new dopant through a two-step mixing approach which is suitable to overcome the degradation of low field and self-field J{sub c} reported for carbon-doped MgB{sub 2} superconductor samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Review of internal and external surface finishing technologies for additively manufactured metallic alloys components and new frontiers

Surface finishing in additive manufacturing (AM) is a technological bottleneck. The field of surface finishing of AM parts is vast because it not only focuses on roughness reduction in the hard-to-access internal surfaces but also includes the scope of adding coatings and sensors. Even though metal AM component is reaching the density and bulk microstructure at par or even better than conventionally produced components, adverse impact of surface roughness and imperfections is becoming the major obstruction. It is observed that external and internal surface roughness of AM components is a high probability cause of many unavoidable issues such as corrosion, incorrect tolerance estimations during the build stage, and the fatigue failure of parts before the expected life cycle. At present, AM field mainly focuses on improving and enhancing the internal and external surface roughness to pass the stringent qualification requirements for actual applications. To address these challenges, researchers worldwide are conducting many experiments and developing different surface finishing techniques. This paper reviews the state-of-the-art knowledge and processes of different surface finishing technology that can be applied to AM metal components. This article mainly highlights several liquid-based surfaces finishing approaches to develop promising surface microstructures on interior and exterior surfaces as a micromachining tool. The future of making strong and self-monitoring AM component requires broadening of surface finishing field and including advanced topics such as coatings and adding sensor technology. We also discuss new frontiers and the scope of future work in the surface finishing field to bring attention to related concerns and possibilities associated with making smart and strong AM components for twenty-first-century integrated engineering systems.

36 MATERIALS SCIENCE↗

Compositional effects in Ag 2 ZnSnSe 4 thin films and photovoltaic devices

Ag 2 ZnSnSe 4 (AZTSe) is a relatively new n-type photovoltaic (PV) absorber material which has recently demonstrated a conversion efficiency of ~5% in a Schottky device architecture. To date, little is known about how the influence of composition on AZTSe material properties and the resulting PV performance. In this study, the Ag/Sn ratio is shown to be critical in the controlling grain growth, non-radiative recombination, and the bulk defect structure of the absorber. Insufficient Ag (relative to Zn and Sn) results in small grains, low photoluminescence intensities, and band gap narrowing, possibly due to an increase in the bulk defect density. Additionally, etching the AZTSe films in KCN prior to junction formation is found to be important for achieving reproducible efficiencies. Surface analysis using Auger Nanoprobe Microscopy analysis reveals that a KCN etch can selectively remove potentially harmful Ag-rich secondary phases, therefore improving the MoO 3 /AZTSe junction quality. Moreover, grain boundaries in AZTSe are found to be enriched in Sn and O following KCN; the role this oxide plays in surface passivation and junction formation has yet to be determined.

36 MATERIALS SCIENCE↗

Insights into twinning in $\mathrm{Mg AZ31: A}$ combined $\mathrm{EBSD}$ and machine learning study

To explore the driving forces behind deformation twinning in Mg AZ31, a machine learning framework is utilized to mine data obtained from electron backscatter diffraction (EBSD) scans in order to extract correlations in physical characteristics that cause twinning. The results are intended to inform physics-based models of twin nucleation and growth. A decision tree learning environment is selected to capture the relationships between microstructure and twin formation; this type of model effectively highlights the more influential characteristics of the local microstructure. Trees are assembled to analyze both twin nucleation in a given grain, and twin propagation across grain boundaries. Each model reveals a unique combination of crystallographic attributes that affect twinning in the Mg. Twin nucleation is found to be mostly controlled by a combination of grain size, basal Schmid factor, and bulk dislocation density while twin propagation is affected most by grain boundary length, basal Schmid factor, angle from grain boundary plane to the RD plane, and grain boundary misorientation. The machine learning framework can be readily adapted to investigate other relationships between microstructure and material response.

36 MATERIALS SCIENCE↗

Correlating Transport and Structural Properties in Li 1+ x Al x Ge 2– x (PO 4 ) 3 (LAGP) Prepared from Aqueous Solution

Li 1+ x Al x Ge 2– x (PO 4 ) 3 (LAGP) is a solid lithium-ion conductor belonging to the NASICON family, representing the solid solution of LiGe 2 (PO 4 ) 3 and AlPO 4 . The typical syntheses of LAGP either involve high-temperature melt-quenching, which is complicated and expensive, or a sol–gel process requiring costly organic germanium precursors. Herein, we report a simple method based on aqueous solutions without the need of ethoxide precursors. Using synchrotron and neutron diffraction, the crystal structure, the occupancies for Al and Ge, and the distribution of lithium were determined. Substitution of germanium by aluminum allows for an increased Li + incorporation in the material and the actual Li + content in the sample increases with the nominal Li + content and a solubility limit is observed for higher aluminum content. By means of impedance spectroscopy, an increase in the ionic conductivity with increasing lithium content is observed. Whereas the lithium ionic conductivity improves, due to the increasing carrier density, the bulk activation energy increases. This correlation suggests that changes in the transport mechanism and correlated motion may be at play in the Li 1+ x Al x Ge 2– x (PO 4 ) 3 solid solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tensile Fracture of Welded Polymer Interfaces: Miscibility, Entanglements, and Crazing

Large-scale molecular simulations are performed to investigate tensile failure of polymer interfaces as a function of welding time t. Changes in the tensile stress, mode of failure and interfacial fracture energy G I are correlated to changes in the interfacial entanglements as determined from Primitive Path Analysis. Bulk polymers fail through craze formation, followed by craze breakdown through chain scission. At small t welded interfaces are not strong enough to support craze formation and fail at small strains through chain pullout at the interface. Once chains have formed an average of about one entanglement across the interface, a stable craze is formed throughout the sample. The failure stress of the craze rises with welding time and the mode of craze breakdown changes from chain pullout to chain scission as the interface approaches bulk strength. The interfacial fracture energy G I is calculated by coupling the simulation results to a continuum fracture mechanics model. As in experiment, G I increases as t 1/2 before saturating at the average bulk fracture energy G b . As in previous studies of shear strength, saturation coincides with the recovery of the bulk entanglement density. Before saturation, G I is proportional to the areal density of interfacial entanglements. Immiscibiltiy limits interdiffusion and thus suppresses entanglements at the interface. Even small degrees of immisciblity reduce interfacial entanglements enough that failure occurs by chain pullout and G I << G b .

36 MATERIALS SCIENCE↗

Equations of State and Anisotropy of Fe-Ni-Si Alloys

We present powder X–ray diffraction data on body centered cubic (bcc)– and hexagonal close packed (hcp)–structured Fe 0.91 Ni 0.09 and Fe 0.8 Ni 0.1 Si 0.1 at 300 K up to 167 and 175 GPa, respectively. The alloys were loaded with tungsten powder as a pressure calibrant and helium as a pressure transmitting medium into diamond anvil cells, and their equations of state and axial ratios were measured with high statistical quality. These equations of state are combined with thermal parameters from previous reports to improve the extrapolation of the density, adiabatic bulk modulus, and bulk sound speed to the pressures and temperatures of Earth's inner core. We propagate uncertainties and place constraints on the composition of Earth's inner core by combining these results with available data on light–element alloys of iron and seismic observations. For example, the addition of 4.3 to 5.3 wt% silicon to Fe 0.95 Ni 0.05 alone can explain geophysical observations of the inner core boundary, as can up to 7.5 wt% sulfur with negligible amounts of silicon and oxygen. Our findings favor an inner core with less than ~2 wt% oxygen and less than 1 wt% carbon, although uncertainties in electronic and anharmonic contributions to the equations of state may shift these values. The compositional space widens toward the center of the Earth, considering inner core seismic gradients. Here, we demonstrate that hcp–Fe 0.91 Ni 0.09 and hcp–Fe 0.8 Ni 0.1 Si 0.1 have measurably greater c/a axial ratios than those of hcp–Fe over the measured pressure range. Here, we further investigate the relationship between the axial ratios, their pressure derivatives, and elastic anisotropy of hcp–structured materials.

36 MATERIALS SCIENCE↗

Laboratory Experiments of Volcanic Ash Resuspension by Wind

Abstract Fresh volcanic eruption deposits tend to be loose, bare, and readily resuspended by wind. Major resuspension events in Patagonia, Iceland, and Alaska have lofted ash clouds with potential to impact aircraft, infrastructure, and downwind communities. However, poor constraints on this resuspension process limit our ability to model this phenomenon. Here, we present laboratory experiments measuring threshold shear velocities and emission rates of resuspended ash under different environmental conditions, including relative humidity of 25–75% and simulated rainfall with subsequent drying. Eruption deposits were replicated using ash collected from two major eruptions: the 18 May 1980 eruption of Mount St. Helens and the 1912 eruption of Novarupta, in Alaska's Valley of Ten Thousand Smokes. Samples were conditioned in a laboratory chamber and prepared with bulk deposit densities of 1,300–1,500 kg/m 3 . A control sample of dune sand was included for comparison. The deposits were subjected to different wind speeds using a modified PI‐SWERL® instrument. Under a constant relative humidity of 50% and shear velocities 0.4–0.8 m/s, PM 10 emission by resuspension ranged from 10 to >100 mg·m −2 ·s −1 . Addition of liquid water equivalent to 5 mm of rainfall had little lasting effect on Mount St. Helens wind erosion potential, while the Valley of Ten Thousand Smokes deposits exhibited lower emissions for at least 12 days. The results indicate that particle resuspension due to wind erosion from ash deposits potentially exceeds that of most desert surfaces and approaches some of the highest emissions ever measured.

Etyemezian, V.↗

Hydrogen and Silicon Effects on Hexagonal Close Packed Fe Alloys at High Pressures: Implications for the Composition of Earth's Inner Core

Hexagonal close-packed (hcp) structured Fe-Ni alloy is believed to be the dominant phase in the Earth's inner core. This phase is expected to contain 4%–5% light elements, such as Si and H. While the effects of individual light element candidates on the equation of state (EoS) of the hcp Fe metal have been studied, their combined effects remain largely unexplored. Here, in this study, we report the equations of state for two hcp-structured Fe-Si-H alloys, namely Fe 0.83 Si 0.17 H 0.07 and Fe 0.83 Si 0.17 H 0.46 , using synchrotron X-ray diffraction measurements up to 125 GPa at 300 K. These alloys were synthesized by cold compression of Fe-9wt%Si in either pure H 2 or Ar-H 2 mixture medium in diamond-anvil cells. The volume increase caused by a H atom in hcp Fe-Si-H alloys is approximately eight times greater than that by a Si atom. We used the improved data set to develop a composition-dependent EoS that covers a wide range of compositions. Our calculated density and bulk sound velocity of hcp Fe-Si-H alloys suggest a large trade-off between Si and H contents in fitting the seismic properties of the inner core. Combining our new EoS with geophysical and geochemical constraints, we propose 1.6–3 wt% Si and 0.15–0.6 wt% H in the Earth's inner core.

58 GEOSCIENCES↗

Terahertz conductivity of topological surface states in Bi 1.5 Sb 0.5 Te 1.8 Se 1.2

Topological insulators are electronic materials with an insulating bulk and conducting surface. However, due to free carriers in the bulk, the properties of the metallic surface are difficult to detect and characterize in most topological insulator materials. Recently, a new topological insulator Bi 1.5 Sb 0.5 Te 1.7 Se 1.3 (BSTS) was found, showing high bulk resistivities of 1–10 Ω.cm and greater contrast between the bulk and surface resistivities compared to other Bi-based topological insulators. Using Terahertz Time-Domain Spectroscopy (THz-TDS), we present complex conductivity of BSTS single crystals, disentangling the surface and bulk contributions. We find that the Drude spectral weight is 1–2 orders of magnitude smaller than in other Bi-based topological insulators and similar to that of Bi 2 Se 3 thin films, suggesting a significant contribution of the topological surface states to the conductivity of the BSTS sample. Moreover, an impurity band is present about 30 meV below the Fermi level and the surface and bulk carrier densities agree with those obtained from transport data. Furthermore, from the surface Drude contribution, we obtain a ~98% transmission through one surface layer — this is consistent with the transmission through single-layer or bilayer graphene, which shares a common Dirac-cone feature in the band structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗