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At least 1,315 records · Page 73

Deep learning with mixup augmentation for improved pore detection during additive manufacturing

In additive manufacturing (AM), process defects such as keyhole pores are difficult to anticipate, affecting the quality and integrity of the AM-produced materials. Hence, considerable efforts have aimed to predict these process defects by training machine learning (ML) models using passive measurements such as acoustic emissions. This work considered a dataset in which keyhole pores of a laser powder bed fusion (LPBF) experiment were identified using X-ray radiography and then registered both in space and time to acoustic measurements recorded during the LPBF experiment. Due to AM’s intrinsic process controls, where a pore-forming event is relatively rare, the acoustic datasets collected during monitoring include more non-pores than pores. In other words, the dataset for ML model development is imbalanced. Moreover, this imbalanced and sparse data phenomenon remains ubiquitous across many AM monitoring schemes since training data is nontrivial to collect. Hence, we propose a machine learning approach to improve this dataset imbalance and enhance the prediction accuracy of pore-labeled data. Specifically, we investigate how data augmentation helps predict pores and non-pores better. This imbalance is improved using recent advances in data augmentation called Mixup, a weak-supervised learning method. Convolutional neural networks (CNNs) are trained on original and augmented datasets, and an appreciable increase in performance is reported when testing on five different experimental trials. When ML models are trained on original and augmented datasets, they achieve an accuracy of 95% and 99% on test datasets, respectively. We also provide information on how dataset size affects model performance. Lastly, we investigate the optimal Mixup parameters for augmentation in the context of CNN performance.

36 MATERIALS SCIENCE↗

Investigation of the Degradation Mechanisms of a Variety of Organic Photovoltaic Devices by Combination of Imaging Techniques - The ISOS-3 Inter-Laboratory Collaboration

The investigation of degradation of seven distinct sets (with a number of individual cells of n {>=} 12) of state of the art organic photovoltaic devices prepared by leading research laboratories with a combination of imaging methods is reported. All devices have been shipped to and degraded at Riso DTU up to 1830 hours in accordance with established ISOS-3 protocols under defined illumination conditions. Imaging of device function at different stages of degradation was performed by laser-beam induced current (LBIC) scanning; luminescence imaging, specifically photoluminescence (PLI) and electroluminescence (ELI); as well as by lock-in thermography (LIT). Each of the imaging techniques exhibits its specific advantages with respect to sensing certain degradation features, which will be compared and discussed here in detail. As a consequence, a combination of several imaging techniques yields very conclusive information about the degradation processes controlling device function. The large variety of device architectures in turn enables valuable progress in the proper interpretation of imaging results -- hence revealing the benefits of this large scale cooperation in making a step forward in the understanding of organic solar cell aging and its interpretation by state-of-the-art imaging methods.

14 SOLAR ENERGY↗

Surface modified CF x cathode material for ultrafast discharge and high energy density

Li/CF x primary possesses the highest energy density of 2180 W h kg⁻¹ among all primary lithium batteries. However, a key limitation for the utility of this type of battery is in its poor rate capability because the cathode material, CF x , is an intrinsically poor electronic conductor. Here, we report on our development of a controlled process of surface de-fluorination under mild hydrothermal conditions to modify the highly fluorinated CF x . The modified CF x , consisting of an in situ generated shell component of F-graphene layers, possesses good electronic conductivity and removes the transporting barrier for lithium ions, yielding a high-capacity performance and an excellent rate-capability. Indeed, a capacity of 500 mA h g⁻¹ and a maximum power density of 44 800 W kg⁻¹ can be realized at the ultrafast rate of 30 C (24 A g⁻¹), which is over one order of magnitude higher than that of the state-of-the-art primary lithium-ion batteries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dynamical insights into the mechanism of a droplet detachment from a fiber

Quantifying the detachment behavior of a droplet from a fiber is important in many applications such as fog harvesting, oil–water separation, or water management in fuel cells. When the droplets are forcibly removed from hydrophilic fibers, the ease of detachment strongly depends on droplet volume and the rate of the process controlled by the applied force. Experiments, conducted on a ferrofluid under magnetic force, as well as continuum level calculations from fluid mechanics have so far been unable to resolve the time-dependent dynamics of droplet detachment and, most importantly, to assess the role of the applied force as the key determinant of the volume of the droplet residue remaining on the fiber after detachment. In the present work, we study the mechanism of water droplet detachment and retention of residual water on smooth hydrophilic fibers using nonequilibrium molecular dynamics simulations. We investigate how the applied force affects the breakup of a droplet and how the minimal detaching force per unit mass decreases with droplet size. We extract scaling relations that allow extrapolation of our findings to larger length scales that are not directly accessible by molecular models. We find that the volume of the residue on a fiber varies nonmonotonically with the detaching force, reaching the maximal size at an intermediate force and associated detachment time. The strength of this force decreases with the size of the drop, while the maximal residue increases with the droplet volume, V, sub-linearly, in proportion to the V 2/3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Assimilation and transport of organic bound tritium in an irrigated pine forest

The speciation of radioactive tritium (T) in a naturally-established subtropical loblolly pine forest that has been irrigated with highly-contaminated pond water for the last 20 years is reported. This irrigation project was created to limit the underground transport of a tritium-rich plume which also contains low levels of toxic organics, metals and radionuclides such as carbon-14 ( 14 C) from a nearby low-level waste burial ground. The levels of tritiated water (HTO) in the wood cores were not influenced by recent irrigation activities. However, the tritium levels in the last 20 years of tree growth were more than 3-fold higher than that of tritium in the older growth. This was due to recent irrigation with organic-bound tritium (OBT)-rich water and subsequent accumulation of high levels tritium as OBT relative to tissue HTO. High levels of pond irrigation water OBT resulted from biogenic processes that converted HTO to OBT. Data for 14 C that were acquired for some of the forest materials indicated that the processes controlling the movement and accumulation of 14 C in this system are somewhat different than that of tritium. Spectroscopic characterization of tree core tissue of <20 years in age found no explanation for the unusually wide dark growth rings. Here, it was concluded that the trees were over-irrigated based on results from other published studies with wood from severely-flooded areas. Although HTO is indeed toxic to biota, OBT represents a relatively greater hazard to biota because it can be bioaccumulated and retained for long periods of time in living tissues.

54 ENVIRONMENTAL SCIENCES↗

Development of a continuous synthesis process for carbamazepine using validated in-line Raman spectroscopy and kinetic modelling for disturbance simulation

Mitigation of failure modes in the continuous synthesis (CS) of a drug substance (DS) has the potential to widen the adoption of continuous manufacturing (CM) technologies by the pharmaceutical industry. Here, this work demonstrates the development of a robust continuous process for the synthesis of carbamazepine (CBZ), an essential medicine as per the World Health Organization (WHO), facilitated by kinetic modelling and monitored by in-line Raman spectroscopy. Accurate kinetic modelling and the use of validated process analytical technology (PAT) models for quantitative measurement were found to play an important role in developing CS of drug substances. Kinetic data for the formation of CBZ from iminostilbene (ISB) were collected by batch reaction sampling and high-performance liquid chromatography (HPLC) analysis. A non-linear solver and iterative method was applied to determine two sets of Arrhenius parameters simultaneously for the reaction system by minimizing the standard error of the model fit. The start-up and dynamic equilibrium stages for the CS of CBZ using a continuous stirred tank reactor (CSTR) were modelled based on the batch kinetic data and employed to optimize conversion and simulate process disturbances. An in-line Raman spectroscopy method was successfully developed, validated, and integrated to determine the concentrations of CBZ and ISB within the operating range for the CS. The CS kinetic model was evaluated experimentally from startup to dynamic equilibrium over 10 residence times with monitoring by HPLC and in-line Raman spectroscopy. The developed kinetic model in tandem with in-line Raman spectroscopy successfully predicted disturbances due to changes in process variables and can serve as a useful tool in the future design of advanced process control strategies for the continuous synthesis of CBZ.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predicted and measured temperature compensated surface acoustic wave devices for high-temperature applications

Industrial monitoring and process control, power plants, aerospace industry, military equipment manufacturing, oil and gas industries are examples of businesses in need for high-temperature and harsh environment electronic components and systems. In particular, resonators and filters that operate beyond the 125°C military range upper limit, normally dictated by silicon-based semiconductor devices, are required in applications which demand frequency control, clocking and sensors. In this Letter, temperature compensated surface acoustic wave orientations appropriate for the fabrication of resonators and filters >125°C have been identified through numerical calculations and experimentally confirmed on a commercially available langasite wafer, a piezoelectric crystal which operates at high temperatures. Resonator filters have been designed, fabricated and tested along two orientations, confirming the zero temperature sensitivities at 150 and 300°C. These devices are of great interest for modern harsh environment frequency control, timing and sensor applications.

36 MATERIALS SCIENCE↗

Cross-Layered Distributed Data-Driven Framework for Enhanced Smart Grid Cyber-Physical Security

Smart Grid (SG) research and development has drawn much attention from academia, industry and government due to the great impact it will have on society, economics and the environment. Securing the SG is a considerably significant challenge due the increased dependency on communication networks to assist in physical process control, exposing them to various cyber-threats. In addition to attacks that change measurement values using False Data Injection (FDI) techniques, attacks on the communication network may disrupt the power system's real-time operation by intercepting messages, or by flooding the communication channels with unnecessary data. Addressing these attacks requires a cross-layer approach. In this paper a cross-layered strategy is presented, called Cross-Layer Ensemble CorrDet with Adaptive Statistics(CECD-AS), which integrates the detection of faulty SG measurement data as well as inconsistent network inter-arrival times and transmission delays for more reliable and accurate anomaly detection and attack interpretation. Numerical results show that CECD-AS can detect multiple False Data Injections, Denial of Service (DoS) and Man In The Middle (MITM) attacks with a high F1-score compared to current approaches that only use SG measurement data for detection such as the traditional physics-based State Estimation, Ensemble CorrDet with Adaptive Statistics strategy and other machine learning classification-based detection schemes.

cyber-physical security↗

Machine Learning for Optimized Polarization at Jefferson Lab

Polarized cryo-targets and polarized photon beams are widely used in experiments at Jefferson Lab. Traditional methods for maintaining the optimal polarization involve manual adjustments throughout data taking by human shift takers. This may introduce some level of inconsistency simply due to the wide variety of experience and expertise of the shift takers themselves. Implementing machine learning-based control systems can improve the stability of the polarization without relying on human intervention. The cryo-target polarization is influenced by temperature, microwave energy, the distribution of paramagnetic radicals, as well as operational conditions including the radiation dose. Diamond radiators are used to generate linearly polarized photons from a primary electron beam. The energy spectrum of these photons can drift over time due to changes in the primary electron beam conditions and diamond degradation. As a first step towards automating the continuous optimization and control processes, uncertainty aware surrogate models have been developed to predict the polarization based on historical data. This talk will provide an overview of the use cases and models developed, highlighting the collaboration between data scientists and physicists at Jefferson Lab.

Jeske, Torri [Thomas Jefferson National Accelerato↗

Precipitation of hydrides in high purity niobium after different treatments

Precipitation of lossy non-superconducting niobium hydrides represents a known problem for high purity niobium in superconducting applications. Using cryogenic optical and laser confocal scanning microscopy we have directly observed surface precipitation and evolution of niobium hydrides in samples after different treatments used for superconducting RF cavities for particle acceleration. Precipitation is shown to occur throughout the sample volume, and the growth of hydrides is well described by the fast diffusion-controlled process in which almost all hydrogen is precipitated at $T=140$~K within $\sim30$~min. 120$^{\circ}$C baking and mechanical deformation are found to affect hydride precipitation through their influence on the number of nucleation and trapping centers.

43 PARTICLE ACCELERATORS↗

Nanowires enabling strained photovoltaics

Photovoltaic nano-devices have largely been relying on charge separation in conventional p-n junctions. Junction formation via doping, however, imposes major challenges in process control. Here, we report on a concept for photovoltaic energy conversion at the nano scale without the need for intentional doping. Our approach relies on charge carrier separation in inhomogeneously strained germanium nanowires (Ge NWs). This concept utilizes the strain-induced gradient in bandgap along tapered NWs. Experimental data confirms the feasibility of strain-induced charge separation in individual vapor-liquid-solid grown Ge NW devices with an internal quantum efficiency of ∼5%. The charge separation mechanism, though, is not inherently limited to a distinct material. Our work establishes a class of photovoltaic nano-devices with its opto-electronic properties engineered by size, shape, and applied strain.

36 MATERIALS SCIENCE↗

Temperature measurement of axisymmetric flames under the influence of magnetic field using Talbot interferometry

Combustion process control is related with ecological improvement and the problem of energy efficiency; hence it has a wide interest at both economical and scientific levels. Application of a magnetic field is one of the most promising methods of combustion control. The presence of magnetic field induces the changes in flame behavior. The effect of uniform magnetic field developed by permanent magnet is studied by Talbot interferometry using circular gratings. Experimental results show a small decrease in flame temperature and increase in flame dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Healing of graphene on single crystalline Ni(111) films

The annealing of graphene layers grown on 150 nm thick single crystal Ni(111) films was investigated in situ by low energy electron microscopy and photoemission electron microscopy. After growth, by means of chemical vapor deposition of ethylene, the graphene layers consist of several domains showing different orientations with respect to the underlying Ni surface and also of small bilayer areas. It is shown that, in a controlled process, the rotated domains can be transformed into lattice-aligned graphene, and the bilayer areas can be selectively dissolved, so that exclusively the aligned monolayer graphene is obtained. The ordering mechanism involves transport of C atoms across the surface and solution in the bulk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Direct probing of electron and hole trapping into nano-floating-gate in organic field-effect transistor nonvolatile memories

Electron and hole trapping into the nano-floating-gate of a pentacene-based organic field-effect transistor nonvolatile memory is directly probed by Kelvin probe force microscopy. The probing is straightforward and non-destructive. The measured surface potential change can quantitatively profile the charge trapping, and the surface characterization results are in good accord with the corresponding device behavior. Both electrons and holes can be trapped into the nano-floating-gate, with a preference of electron trapping than hole trapping. The trapped charge quantity has an approximately linear relation with the programming/erasing gate bias, indicating that the charge trapping in the device is a field-controlled process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dynamics of protein aggregation and oligomer formation governed by secondary nucleation

The formation of aggregates in many protein systems can be significantly accelerated by secondary nucleation, a process where existing assemblies catalyse the nucleation of new species. In particular, secondary nucleation has emerged as a central process controlling the proliferation of many filamentous protein structures, including molecular species related to diseases such as sickle cell anemia and a range of neurodegenerative conditions. Increasing evidence suggests that the physical size of protein filaments plays a key role in determining their potential for deleterious interactions with living cells, with smaller aggregates of misfolded proteins, oligomers, being particularly toxic. It is thus crucial to progress towards an understanding of the factors that control the sizes of protein aggregates. However, the influence of secondary nucleation on the time evolution of aggregate size distributions has been challenging to quantify. This difficulty originates in large part from the fact that secondary nucleation couples the dynamics of species distant in size space. Here, we approach this problem by presenting an analytical treatment of the master equation describing the growth kinetics of linear protein structures proliferating through secondary nucleation and provide closed-form expressions for the temporal evolution of the resulting aggregate size distribution. We show how the availability of analytical solutions for the full filament distribution allows us to identify the key physical parameters that control the sizes of growing protein filaments. Furthermore, we use these results to probe the dynamics of the populations of small oligomeric species as they are formed through secondary nucleation and discuss the implications of our work for understanding the factors that promote or curtail the production of these species with a potentially high deleterious biological activity.

60 APPLIED LIFE SCIENCES↗

Thermodynamic properties and solidification kinetics of intermetallic Ni{sub 7}Zr{sub 2} alloy investigated by electrostatic levitation technique and theoretical calculations

The thermodynamic properties, including the density, volume expansion coefficient, ratio of specific heat to emissivity of intermetallic Ni{sub 7}Zr{sub 2} alloy, have been measured using the non-contact electrostatic levitation technique. These properties vary linearly with temperature at solid and liquid states, even down to the obtained maximum undercooling of 317 K. The enthalpy, glass transition, diffusion coefficient, shear viscosity, and surface tension were obtained by using molecular dynamics simulations. Ni{sub 7}Zr{sub 2} has a relatively poor glass forming ability, and the glass transition temperature is determined as 1026 K. The inter-diffusivity of Ni{sub 7}Zr{sub 2} alloy fitted by Vogel–Fulcher–Tammann law yields a fragility parameter of 8.49, which indicates the fragile nature of this alloy. Due to the competition of increased thermodynamic driving force and decreased atomic diffusion, the dendrite growth velocity of Ni{sub 7}Zr{sub 2} compound exhibits double-exponential relationship to the undercooling. The maximum growth velocity is predicted to be 0.45 m s{sup −1} at the undercooling of 335 K. Theoretical analysis reveals that the dendrite growth is a diffusion-controlled process and the atomic diffusion speed is only 2.0 m s{sup −1}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Growth far from equilibrium: Examples from III-V semiconductors

The development of new applications has driven the field of materials design and synthesis to investigate materials that are not thermodynamically stable phases. Materials which are not thermodynamically stable can be synthesized and used in many applications. These materials are kinetically stabilized during use. The formation of such metastable materials requires both an understanding of the associated thermochemistry and the key surface transport processes present during growth. Phase separation is most easily accomplished at the growth surface during synthesis where mass transport is most rapid. These surface transport processes are sensitive to the surface stoichiometry, reconstruction, and chemistry as well as the growth temperature. The formation of new metastable semiconducting alloys with compositions deep within a compositional miscibility gap serves as model systems for the understanding of the surface chemical and physical processes controlling their formation. The GaAs{sub 1−y}Bi{sub y} system is used here to elucidate the role of surface chemistry in the formation of a homogeneous metastable composition during the chemical vapor deposition of the alloy system.

36 MATERIALS SCIENCE↗

Liquid metal alloy ion sources—An alternative for focussed ion beam technology

Today, Focused Ion Beam (FIB) processing is nearly exclusively based on gallium Liquid Metal Ion Sources (LMIS). But, many applications in the μm- or nm range could benefit from ion species other than gallium: local ion implantation, ion beam mixing, ion beam synthesis, or Focused Ion Beam Lithography (IBL). Therefore, Liquid Metal Alloy Ion Sources (LMAIS) represent a promising alternative to expand the remarkable application fields for FIB. Especially, the IBL process shows potential advantages over, e.g., electron beam or other lithography techniques: direct, resistless, and three-dimensional patterning, enabling a simultaneous in-situ process control by cross-sectioning and inspection. Taking additionally into account that the used ion species influences significantly the physical and chemical nature of the resulting nanostructures—in particular, the electrical, optical, magnetic, and mechanic properties leading to a large potential application area which can be tuned by choosing a well suited LMAIS. Nearly half of the elements of the periodic table are recently available in the FIB technology as a result of continuous research in this area during the last forty years. Key features of a LMAIS are long life-time, high brightness, and stable ion current. Recent developments could make these sources feasible for nano patterning issues as an alternative technology more in research than in industry. The authors will review existing LMAIS, LMIS other than Ga, and binary and ternary alloys. These physical properties as well as the fabrication technology and prospective domains for modern FIB applications will similarly be reviewed. Other emerging ion sources will be also presented and their performances discussed.

36 MATERIALS SCIENCE↗