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With growing demand for better fuel economy for automobiles, multimaterial solutions are increasingly being utilized in the automotive industry for reducing weight in the vehicle body structure. This poses challenges in terms of joining dissimilar metals, especially those with vastly different properties such as aluminum to steel joining. General Motors has developed a new resistance spot-welding technique for dissimilar materials using a multi-ring domed (MRD) electrode and multiple solidification weld schedules to address this challenge. Originally developed for aluminum to aluminum resistance spot welding, this technology is being deployed as the mainstream aluminum joining solution to leverage existing infrastructure and workforce competency in resistance spot welding. With the recent expansion of MRD technology to aluminum to steel resistance spot welding, there is an ever-greater need to experimentally verify the quality of each aluminum to steel resistance spot-weld application with limited time and resources. Nondestructive evaluation (NDE) would enable the transfer of resistance spot-welding technology to dissimilar aluminum to steel joints. This article describes the current state of the art of aluminum to steel resistance spot welding and the challenges in developing a robust NDE process for this technology.
Oxide inclusions such as gray spots are the main defects caused by rail flash butt welding (FBW). An appropriate temperature field and upsetting process are essential for the extrusion of joint impurities. This study constructed a thermomechanical coupling model for the solid-state upsetting process of rail FBW through a combination of finite element simulation and experiment. Subsequently, the effects of different temperature fields and upsetting parameters on the extrusion behavior of impurities were studied. The results show that when the lateral deformation of the joint is not considered, selecting the appropriate upsetting length and increasing the width of the high-temperature plastic zone are beneficial for the extrusion of harmful impurities. Moreover, using variable speed upsetting or increasing the speed of the early upsetting facilitates the extrusion of impurities. However, the impurities in the deeper areas of the rail are difficult to move, and they easily form gray spot defects if the oxide inclusions remain.
This is a copy of the slides presented at the meeting but not formally written up for the volume.
We have made very thin films of LaAlO3 on TiO2 terminated SrTiO3 and have measured the properties of the resulting interface in various ways. We have made very thin films of LaAlO3 on TiO2 terminated SrTiO3 and have measured the properties of the resulting interface in various ways. Transport measurements show a sheet carrier density of 1016 cm-2 and a mobility around 104 cm2 V-1 s-1. In situ UPS results indicate that oxygen vacancies play an important role in the creation of the charge carriers and that these vacancies are introduced by the pulsed laser deposition process used to make the hetero-interfaces . Our results explain for the first time  the origin of the large sheet carrier densities and high mobility observed previously. XAS and spectroscopic ellipsometry  measurements confirm the existence of (oxygen) defects in the SrTiO3 and their variation with the oxygen pressure during deposition. Simple model calculations confirm the plausibility of having defects at the origin of charge carriers while still maintaining a high mobility . By means of annealing experiments in atomic oxygen we try to answer the question whether an intrinsically doped interface does indeed exist at lower carrier concentrations . Due to its reactive nature (i.e., binding energy in an oxygen molecule is about 5 eV), atomic oxygen will have much more power to eliminate any oxygen vacancies compared to conventional annealing methods.  W. Siemons et al, CondMat/0603598  W. Siemons, G. Koster, H. Yamamoto, W. A. Harrison, T. H. Geballe, G. Lucovsky, D.H.A. Blank and M.R. Beasley, in preparation  G. Lucovsky, H. Seo and J. Luning, unpublished  G. Koster and W. Harrison, in preparation.
Quantum computers are close to become a practical technology. Solid-state implementations based, for example, on superconducting devices strongly rely on the quality of the constituent materials. In this work, we fabricate and characterize superconducting planar resonators in the microwave range, made from aluminum films on silicon substrates. We study two samples, one of which is unprocessed and the other cleaned with a hydrofluoric acid bath and by heating at 880 °C in high vacuum. We verify the efficacy of the cleaning treatment by means of scanning transmission electron microscope imaging of samples’ cross sections. From 3 h-long resonator measurements at ≈ 10 mK and with ≈ 10 photonic excitations, we estimate the frequency flicker noise level using the Allan deviation and find an approximately tenfold noise reduction between the two samples; the cleaned sample shows a flicker noise power coefficient for the fractional frequency of ≈ 0.23 × 10−15. Our preliminary results follow the generalized tunneling model for two-level state defects in amorphous dielectric materials and show that suitable cleaning treatments can help the operation of superconducting quantum computers.
The bulk van der Waals crystal Mn3Si2Te6 (MST) has been irradiated with a proton beam of 2 MeV at a fluence of 1×1018 H+ cm-2. The temperature dependent magnetization measurements show a drastic decrease in the magnetization of 49.2% in the H//c direction observed in ferrimagnetic state. This decrease in magnetization is also reflected in the isothermal magnetization curves. No significant change in the ferrimagnetic transition temperature (75 K) was reflected after irradiation. Electron paramagnetic resonance (EPR) spectroscopy shows no magnetically active defects present after irradiation. Here, experimental findings gathered from MST bulk crystals via magnetic measurements, magnetocaloric effect, and heat capacity are discussed.
Defects in crystalline solids control the properties of engineered and natural materials, and their characterization focuses our strategies to optimize performance. Electron microscopy has served as the backbone of our understanding of defect structure and their interactions, owing to beneficial spatial resolution and contrast mechanisms that enable direct imaging of defects. These defects reside in complex microstructures and chemical environments, demanding a combination of experimental approaches for full defect characterization. In this article, we describe recent progress and trends in methods for examining defects using scanning electron microscopy platforms. Several emerging approaches offer attractive benefits, for instance, in correlative microscopy across length scales and in in situ studies of defect dynamics.
In situ nanomechanical testing in (scanning) transmission electron microscopy provides unique opportunities for studying fundamental deformation processes in materials. New insights have been gained by combining advanced imaging techniques with novel preparation methods and controlled loading scenarios. For instance, by applying in situ high-resolution imaging during tensile deformation of metallic nanostructures, the interplay of dislocation slip and surface diffusion has been identified as the key enabler of superplasticity. Evidence for dislocation pinning by hydrogen defect complexes has been provided by in situ imaging under cyclic pillar compression in a tunable gas environment. And, for the very first time, individual dislocations have been moved around in situ in two-dimensional materials by combining micromanipulation and imaging in a scanning electron microscope.
Raman spectroscopy is a fundamental tool for the characterization of two-dimensional materials. It provides insights into the electronic and vibrational properties of these materials and is particularly rich in features when the incident laser energy approaches the electronic energy transition of the material. Among these features, the double resonance Raman process provides important information on the electron, phonon, and electron–phonon properties. It was on the study of carbon-related materials that the double resonance bands sparkled showing their potential and, since then, have been deeply searched in the study of novel 2D materials. Here, the authors review the double resonance Raman process in 2D materials focusing on graphene and semiconducting MoS2 highlighting the origin of the bands mediated by the two-phonon and phonon–defect processes. The authors discuss the observed properties of the double resonance bands and compare the processes for graphene and MoS2 to find guiding principles for the appearance of double resonance bands. The authors also discuss the new findings of the intervalley scattering process in transition metal dichalcogenides. A brief discussion of the defect-induced bands in both materials is also presented.
Cu films are widely used in electronics for interconnections. In some applications, reliable thin-film connecting elements having high electrical conductivity, mechanical stability and adhesion to a glass substrate are required. In this case the length of the elements amounts to tens of centimetres. In this paper, Cu was used as the basis for the connecting elements. To ensure high adhesion Cr was used as an underlayer. The paper investigates the structure, electrical conductivity, adhesion, defect formation of Cu, Cu-Cr, Cr-Cu-Cr thin-film conductors. As a result of the performed research, the regularities of changes of the film structure, electrical conductivity, adhesion, defect formation depending on the technological process parameters were established. Physical and technological mechanisms determining the observed patterns are considered. The research results are used in the device production technology.
Linear elastic moduli of solids with similar chemical compositions usually vary fairly insignificantly. However, for a broad class of apparently similar materials, their higher-order (nonlinear) moduli may differ by many times or even by orders of magnitude. Besides their large magnitude, nonlinear effects often demonstrate qualitative/functional features inconsistent with predictions of the classical theory of nonlinear elasticity based on consideration of weak lattice (atomic) nonlinearity. The latter is mostly applicable to ideal crystals and flawless amorphous solids, whereas the presence of structural heterogeneities can drastically modify the acoustic nonlinearity of materials without appreciable variation in the linear elastic properties. Despite often rather nontrivial/nonstraightforward relationships between microstructural features of the material and the resultant “nonclassical” acoustic nonlinearity, the extremely high structural sensitivity makes utilization of nonlinear acoustic effects attractive for a broad range of diagnostic applications that have been emerging in recent years in various areas—from seismic sounding and nondestructive testing to materials characterization down to the nanoscale.
Thermal conductivity of uranium dioxide (UO2) is an important nuclear fuel performance property. Radiation- and fission-induced defects and microstructures, such as xenon (Xe) gas bubbles, can degrade the thermal conductivity of UO2 significantly. Here, molecular dynamics simulations are conducted to study the effect of Xe bubble size and pressure on the thermal conductivity of UO2. At a given porosity, thermal conductivity increases with Xe cluster size, then reaches a nearly saturated value at a cluster radius of 0.6 nm, demonstrating that dispersed Xe atoms result in a lower thermal conductivity than clustering them into bubbles. In comparison with empty voids of the same size, Xe-filled bubbles lead to a lower thermal conductivity when the number ratio of Xe atoms to uranium vacancies (Xe:VU ratio) in bubbles is high. Detailed atomic-level analysis shows that the pressure-induced distortion of atoms at bubble surface causes additional phonon scattering and thus further reduces the thermal conductivity.
Predicting the structural response of advanced multiphase alloys and understanding the underlying microscopic mechanisms that are responsible for it are two critically important roles that modeling plays in alloy development. The demonstration of superior properties of an alloy, such as high strength, creep resistance, high ductility, and fracture toughness, is not sufficient to secure its use in widespread applications. Still, a good model is needed to take measurable alloy properties, such as microstructure and chemical composition, and forecast how the alloy will perform in specified mechanical deformation conditions, including temperature, time, and rate. Here, we highlight recent achievements using multiscale modeling in elucidating the coupled effects of alloying, microstructure, and mechanism dynamics on the mechanical properties of polycrystalline alloys. Much of the understanding gained by these efforts relies on the integration of computational tools that vary over many length scales and time scales, from first-principles density functional theory, atomistic simulation methods, dislocation and defect theory, micromechanics, phase-field modeling, single crystal plasticity, and polycrystalline plasticity.
The cyclic oxidation experiment of yttria-stabilized zirconia coatings deposited on NiCoCrAlYHf alloys by air plasma spraying was investigated at 1050 °C in air and in air containing water vapor. The results revealed that water vapor has a great influence on the oxidation resistance of the thermal barrier coatings (TBCs). Compared with the samples oxidized in air atmosphere, TBCs oxidized in air containing water vapor had a longer lifetime. It was also found that different atmospheres could lead to different HfO2 formation positions, which could decrease the rumpling in the oxide layer. In particular, after the coatings on Hf-doped NiCoCrAlY were first pretreated in air containing water vapor for 24 h at 1050 °C, the lifetime of the pretreated coating was doubled compared to the coating in laboratory air only. The water vapor pretreatment of the coatings could be an important method for optimizing the lifetime of TBCs.
Nanocrystalline and nanolaminated materials show enhanced radiation tolerance compared with their coarse-grained counterparts, since grain boundaries and layer interfaces act as effective defect sinks. Although the effects of layer interface and layer thickness on radiation tolerance of crystalline nanolaminates have been systematically studied, radiation response of crystalline/amorphous nanolaminates is rarely investigated. In this study, we show that irradiation can lead to formation of nanocrystals and nanotwins in amorphous CuNb layers in Cu/amorphous-CuNb nanolaminates. Substantial element segregation is observed in amorphous CuNb layers after irradiation. In Cu layers, both stationary and migrating grain boundaries effectively interact with defects. Furthermore, there is a clear size effect on irradiation-induced crystallization and grain coarsening. In situ studies also show that crystalline/amorphous interfaces can effectively absorb defects without drastic microstructural change, and defect absorption by grain boundary and crystalline/amorphous interface is compared and discussed. Our results show that tailoring layer thickness can enhance radiation tolerance of crystalline/amorphous nanolaminates and can provide insights for constructing crystalline/amorphous nanolaminates under radiation environment.
We use irradiation with 50-MeV Cu-ions to create vortex pinning defects in high-temperature superconducting Y1Ba2Cu3O7-x coated conductors using a beam-rastering approach that allows for the uniform irradiation of large ample areas. Our samples contain barium zirconate nanorods as pre-existing vortex pinning defects. By irradiating the samples at angles of 0o, 15oand 30o from the crystallographic c-axis we explore the interplay between pre-existing and irradiation-induced pinning and find that irradiation at 30o leads to a moderate enhancement of Jc at 5 K at high fields (greater than 2 Tesla). In contrast, Jc was suppressed for all temperatures and fields for other angles of irradiation. Optimized particle irradiation procedures offer a way for improving the performance of high-temperature superconducting wires for use in high magnetic fields without the need for changing wire synthesis protocols.
BiCuTeO is a potential thermoelectric material owing to its low thermal conductivity and high carrier concentration. However, the thermoelectric performance of BiCuTeO is still below average and has much scope for improvement. In this study, we manipulated the nominal oxygen content in BiCuTeO and synthesized BiCuTeOx (x = 0.94–1.06) bulks by a solid-state reaction and pelletized them by a cold-press method. The power factor was enhanced by varying the nominal oxygen deficiency due to the increased Seebeck coefficient. The thermal conductivity was also reduced due to the decrease in lattice thermal conductivity owing to the small grain size generated by the optimal nominal oxygen content. Consequently, the ZT value was enhanced by ∼11% at 523 K for stoichiometric BiCuTeO0.94 compared to BiCuTeO. Thus, optimal oxygen manipulation in BiCuTeO can enhance the thermoelectric performance. This study can be applied to developing oxides with high thermoelectric performances.
The configurations associated with the dissociative adsorption of water on a variety of low-coordinated sites of MgO(100) surfaces, including corners, steps, MgO vacancies, and kinks on 〈010〉 steps, have been studied and assigned by combining infrared spectroscopy and ab initio calculations. Three kinds of MgO powders were examined: powders of very high specific surface area prepared by chemical vapor synthesis and well-defined cubic smoke particles obtained by combustion in either 20:80 or 60:40 O2:Ar mixtures, the latter one involving less defects and smaller particles. It appears that an imperative requirement to obtain a precise characterization of the reactive behavior of defects is to keep the samples in ultra–high vacuum conditions and to control the water partial pressure finely.
Large lattice and thermal expansion coefficients mismatches between III-Nitride (III N) epitaxial layers and their substrates inevitably generate defects on the interfaces. Such defects as dislocations affect the reliability, life time, and performance of photovoltaic (PV) devices. High dislocation densities in epitaxial layer generate higher v-shaped pits densities on the layer top surface that also directly affect the device performance. Therefore, using an approach such as the embedded void approach (EVA) for defects reduction in the epitaxial layers is essential. EVA relies on the generation of high densities of embedded microvoids (∼108/cm2), with ellipsoidal shapes. These tremendous number of microvoids are etched near the interface between the III N thin-film and its substrate where the dislocation densities present with higher values.
This article used a 3-D constitutive model that accounts the crystal plasticity formulas and specialized finite element (FE) formulas to model the EVA in multi-junction PV and therefore to study the effect of the embedded void approach on the defects reduction. Mesh convergence and 2-D analytical solution validation is conducted with accounting thermal stresses. Several aspect and volume ratios of the embedded microvoids are used to optimize the microvoid dimensions.
Disordered iron oxide thin-films synthesized from grain-oriented iron foils were grown on both glass and Si (100) n-type substrates by vacuum evaporation followed by thermal oxidation at low temperatures. Defects such as vacancies formation has been studied using Atomic Force Microscopy (AFM) and Raman Spectroscopy. The kinetic of oxidation as a function of surface parameters was investigated by AFM studies. The vibrational modes (bands) connected with the vacancies formation and magnetic ordering into the iron oxide structure were validated by Raman spectroscopy. Space-charge effects can be influenced by discontinuous growth of iron oxide and correlated with their structure parameters. Finally, the disordered iron oxide will be useful for the next generation of adaptive oxide devices.
The effects of La-substitution into SrTiO3 (STO) perovskite oxides on their phase structure, formation enthalpy and electrical conductivity have been investigated. La substitution in STO has been reported to show a significant enhancement in electronic conductivity in a wide-band-gap layered perovskite compound STO. Mixture of Lanthanum and Titanium oxide may lead to various phases including La2/3TiO3, La2Ti2O7 and La2TiO5. In this work, more than 50 structural models have been constructed by considering ionic state substituents, distance between substituents and their concentrations. We investigated the formation enthalpy, elastic properties and band gap by density functional theory (DFT) calculations. We have also investigated the effect of reducing environment on La2/3TiO3. The computed bulk modulus (∼2.4 % deviation) and band gap (∼12% deviation) of STO are in good agreement with the literature. Our results indicate that La substitution into STO could significantly reduce the band gap. Reduction in band gap is maximum when the substituents is present at low concentrations. Internal position of La substituents in STO affects the band gap marginally while energy remains almost same. Formation enthalpy of La2/3TiO3 from LaTiO3 is around 2 eV. La2/3TiO3 acts as band insulator (band gap = 2.8 eV). In reducing environment, the band gap of La2/3TiO3 significantly reduces. Sr substitution in La2/3TiO3 lower the band gap and formation enthalpy. La2Ti2O7 and La2TiO5 have higher band gap and lower bulk modulus than STO. Sr substitution is not feasible in La2Ti2O7 and La2TiO5.