Interface Engineering and Controlling the Friction and Wear of Ultrathin Carbon Films: High sp3 Versus High sp2 Carbons

Understanding and engineering interfaces, and controlling the friction and wear of materials, are extremely important for many technological applications, particularly for magnetic storage technologies and micro‐ and nanoelectromechanical systems (MEMS and NEMS), where one sliding/moving surface comes into contact with another. Ultrathin carbon films are generally employed in most of these technologies. However, their wear and friction mechanisms are not well understood, especially the role of the film–substrate (FS) interface has not been deeply explored and discussed to date. This limits further developments in this field. Through experimental and theoretical experiments, we are able to report on the engineering of a FS interface consisting of high sp³‐ and high sp²‐bonded ultrathin carbon films on Al₂O₃–TiC substrates by introducing a silicon nitride (SiN_x) interlayer and tuning the carbon ion energy. All carbon‐based overcoats show a low coefficient of friction (COF) in the range of 0.08–0.16; however, the high sp³‐bonded C/SiN_x bilayer overcoat reveals the lowest and most stable friction. The friction mechanism is explained using an integrated framework of surface passivation, rehybridization, material transfer, tribolayer formation, and interfaces. We discover that FS interface engineering substantially reduces the wear of ultrathin carbon films while maintaining/reducing the friction. In general, this approach can be applied to control the friction and wear of ultrathin films of diverse materials.     

Pre-adolescent children exhibit lower aerosol particle volume emissions than adults for breathing,speaking, singing and shouting

Speaking and singing are activities linked to increased aerosol particle emissions from the respiratory system, dependent on the utilized vocal intensity. As a result, these activities have experienced considerable restrictions in enclosed spaces since the onset of the COVID-19 pandemic due to the risk of infection from the SARS-CoV-2 virus, transmitted by virus-carrying aerosols. These constraints have affected public education and extracurricular activities for children as well, from in-person music instruction to children’s choirs. However, existing risk assessments for children have been based on emission measurements of adults. To address this, we measured the particle emission rates of 15 pre-adolescent children, all eight to ten years old, with a laser particle counter for the test conditions: breathing at rest, speaking, singing and shouting. Compared with values taken from 15 adults, emission rates for breathing, speaking and singing were significantly lower for children. Particle emission rates were reduced by a factor of 4.3 across all conditions, whereas emitted particle volume rates were reduced by a factor of 4.8. These data can supplement SARS-CoV-2 risk management scenarios for various school and extracurricular settings.     

A quantitative assessment of nanometric machinability of major polytypes of single crystal silicon carbide

The influence of polymorphism on nanometric machinability of single crystal silicon carbide (SiC) has been investigated through molecular dynamics (MD) simulation. The simulation results are compared with silicon as a reference material.Cutting hardness was adopted as a quantifier of the machinability of the polytypes of single crystal SiC. 3C-SiC offered highest cutting resistance (～2.9 times that of silicon) followed by the 4H-SiC (～2.8 times that of silicon) whereas 6H-SiC (～2.1 times that of silicon) showed the least. Despite its high cutting resistance, 4H-SiC showed the minimum sub-surface crystal lattice deformed layer depth, in contrast to 6H-SiC. Further analysis of temperatures in the cutting zone and the percentage tool wear indicated that single point diamond turning (SPDT) of single crystal SiC could be limited to either 6H-SiC or 4H-SiC depending upon quality and cost considerations as these were found to be more responsive and amenable to SPDT compared to single crystal 3C-SiC.     

Fracture Toughness of Advanced Structural Ceramics: Applying ASTM C1421

The three methods of determining the quasi‐static Mode I fracture toughness (K_Ic) (surface crack in flexure—SC, single‐edge precracked beam—PB, and chevron‐notched beam—VB) found in ASTM C1421 were applied to a variety of advanced ceramic materials. All three methods produced valid and comparable K_Ic values for the Al₂O₃, SiC, Si₃N₄, and SiAlON ceramics examined. However, not all methods could successfully be applied to B₄C, ZrO₂, and WC ceramics due to a variety of material factors. The coarse‐grained microstructure of one B₄C hindered the ability to observe and measure the precracks generated in the SC and PB methods while the transformation toughening in the ZrO₂ prevented the formation of the SC and PB precracks and thus made it impossible to use either method on this ceramic. The high strength and elastic modulus of the WC made it impossible to achieve stable crack growth using the VB method because the specimen stored a tremendous amount of energy prior to fracture. Even though these methods have passed the rigors of the standardization process there are still some issues to be resolved when the methods are applied to certain classes of ceramics. It is recommended that, when appropriate, at least two of these methods be employed to determine the K_Ic, especially when a new or unfamiliar ceramic is being evaluated.     

Small‐Molecule APOBEC3G DNA Cytosine Deaminase Inhibitors Based on a 4‐Amino‐1,2,4‐triazole‐3‐thiol Scaffold

APOBEC3G (A3G) is a single‐stranded DNA cytosine deaminase that functions in innate immunity against retroviruses and retrotransposons. Although A3G can potently restrict Vif‐deficient HIV‐1 replication by catalyzing excessive levels of G→A hypermutation, sublethal levels of A3G‐catalyzed mutation may contribute to the high level of HIV‐1 fitness and its incurable prognosis. To chemically modulate A3G catalytic activity with the goal of decreasing the HIV‐1 genomic mutation rate, we synthesized and biochemically evaluated a class of 4‐amino‐1,2,4‐triazole‐3‐thiol small‐molecule inhibitors identified by high‐throughput screening. This class of compounds exhibits low‐micromolar (3.9–8.2 μM ) inhibitory potency and remarkable specificity for A3G versus the related cytosine deaminase, APOBEC3A. Chemical modification of inhibitors, A3G mutational screening, and thiol reactivity studies implicate C321, a residue proximal to the active site, as the critical A3G target for this class of molecules.     

Probability distributions of gas hydrate formation

Induction time distributions for gas hydrate formation were measured for gas mixtures of methane + propane at pressures up to 11.3 MPa using a high‐pressure automated lag time apparatus (HP‐ALTA). Measurements were made at subcooling temperatures between 4.3 and 13.5 K and, while isothermal induction times between 0 and 15,000 s were observed, the median isothermal induction times for the distributions ranged from 100 to 4000 s. A hyperbolic relationship between median induction time and subcooling was used to correlate the data. A graphical interpretation is presented that relates the two types of data that can be acquired by using the HP‐ALTA in one of two modes to study hydrate formation: induction time distributions at constant subcooling and formation temperature distributions observed during linear cooling ramps. The equivalence of these two modes provides a robust method for studying the variation of formation phenomena in different hydrate systems. © 2013 American Institute of Chemical Engineers AIChE J, 59: 2640–2646, 2013     

Ultrasonic spray deposition for production of organic solar cells

Recent improvements of organic photovoltaic power conversion efficiencies have motivated development of scalable processing techniques. We compare chlorobenzene and p-xylene, as solvents with similar bulk properties, in a case study of ultrasonic spray depositions of bulk heterojunction layers in photovoltaic devices. Structure and morphology of spray-deposited films are investigated via small-angle X-ray diffraction and optical microscopy. Unique phases are observed in bulk heterostructure films sprayed from p-xylene. Films sprayed from chlorobenzene resulted in higher device efficiencies than p-xylene due to large differences in film morphologies. Carrier loss mechanisms are also investigated. Post-production annealing increases power conversion efficiency to 3.2% when chlorobenzene is used.     

Hearing loss in community-dwelling older persons: national prevalence data and identification using simple questions

OBJECTIVE: To estimate the prevalence of hearing loss among community-dwelling older persons according to clinical criteria and to develop a brief self-report screening instrument to detect hearing loss. DESIGN: Survey. SETTING: National probability sample of noninstitutionalized older persons. PARTICIPANTS: A total of 2506 persons aged 55 to 74 who participated in the National Health and Nutrition Examination Survey. MAIN OUTCOME MEASURES: Hearing loss as defined by Ventry and Weinstein (VW) criteria and by the High Frequency Pure-Tone Average (HFPTA) scale. RESULTS: Hearing loss by VW criteria was present in 14.2% and by HFPTA criteria in 35.1% of those surveyed. The prevalence increased with advancing age and was higher among men and those with less education. A logistic regression model identified six independent factors for hearing loss by VW criteria: age > or = 70 years (adjusted odds-ratio (AOR) 2.7, 95% confidence interval (95% CI) 1.6, 4.4), male gender (AOR 3.0, 95% CI 1.9, 4.8), < or = 12th grade education (AOR 3.8, 95% CI 1.8, 7.7), having seen a doctor for deafness or hearing loss (AOR 8.9, 95% CI 5.3, 14.9), unable to hear a whisper across a room (AOR 3.2, 95% CI 2.0, 5.1), and unable to hear a normal voice across a room (AOR 6.2, 95% CI 2.6, 14.9). A clinical scale based on the logistic model had 80% sensitivity and 80% specificity in predicting hearing loss using VW criteria and 59% sensitivity and 88% specificity in predicting hearing loss using HFPTA criteria. CONCLUSIONS: Hearing loss, as defined by two clinical criteria, is common and can be screened for accurately using simple questions that assess sociodemographic and hearing-related characteristics.     

A step towards the final frontier: Lessons learned from acceptance testing of the first HPE/Cray EX 3000 system at ORNL

In this article, we summarize the deployment of the Air Force Weather (AFW) HPC11 system at Oak Ridge National Laboratory (ORNL) including the process followed to successfully complete acceptance testing of the system. HPC11 is the first HPE/Cray EX 3000 system that has been successfully released to its user community in a federal facility. HPC11 consists of two identical 800-node supercomputers, Fawbush and Miller, with access to two independent and identical lustre parallel file systems. HPC11 is equipped with Slingshot 10 interconnect technology and relies on the HPE Performance Cluster Manager software for system configuration. ORNL has a clearly defined acceptance testing process used to ensure that every new system deployed can provide the necessary capabilities to support user workloads. We worked closely with HPE and AFW to develop a set of tests that used the United Kingdom's Meteorological Office's Unified Model and 4-dimensional variational data assimilation. We also included benchmarks and applications from the Oak Ridge Leadership Computing Facility portfolio to fully exercise the HPE/Cray programming environment and evaluate the functionality and performance of the system. Acceptance testing of HPC11 required parallel execution of each element on Fawbush and Miller. In addition, careful coordination was needed to ensure successful acceptance of the newly deployed lustre file systems alongside the compute resources. In this work, we present test results from specific system components and provide an overview of the issues identified, challenges encountered, and the lessons learned along the way.