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  1. Free, publicly-accessible full text available June 18, 2023
  2. Abstract We combine infrared absorption and Raman scattering spectroscopies to explore the properties of the heavy transition metal dichalcogenide 1T-HfS 2 . We employ the LO–TO splitting of the E u vibrational mode along with a reevaluation of mode mass, unit cell volume, and dielectric constant to reveal the Born effective charge. We find $${Z}_{{\rm{B}}}^{* }$$ Z B *  = 5.3 e , in excellent agreement with complementary first-principles calculations. In addition to resolving the controversy over the nature of chemical bonding in this system, we decompose Born charge into polarizability and local charge. We find α  = 5.07 Å 3 and Zmore »*  = 5.2 e , respectively. Polar displacement-induced charge transfer from sulfur p to hafnium d is responsible for the enhanced Born charge compared to the nominal 4+ in hafnium. 1T-HfS 2 is thus an ionic crystal with strong and dynamic covalent effects. Taken together, our work places the vibrational properties of 1T-HfS 2 on a firm foundation and opens the door to understanding the properties of tubes and sheets.« less
    Free, publicly-accessible full text available December 1, 2022
  3. Free, publicly-accessible full text available October 28, 2022
  4. Surface segregation is a phenomenon that depends on the delicate interplay between thermodynamic driving forces and kinetic obstacles, for which elevated temperature is often needed to enhance the atom mobility and reach equilibrium. Using the classic system of Cu3Au(100) under the non-isothermal conditions, herein we show an adatom process underlying transient surface segregation dynamics through the temperaturechange-driven creation and annihilation of thermal vacancies in the bulk and the resulting bulk/surface mass exchanges. This is demonstrated by monitoring the surface composition evolution of Cu3Au(100) with temperature changes between 250 °C and 500 °C, showing that the increase in temperature decreases monotonicallymore »the surface Au concentration as a result of the transfer of more Cu than Au from the bulk to the surface to form Cu-rich clusters of adatoms. Such a bulk thermal defect effect is expected to be universal in inducing the disparity in the bulk/surface mass exchanges of dissimilar atoms in multicomponent materials because of the inherent differences in the vacancy formation energies of the constituent atoms.« less
    Free, publicly-accessible full text available August 2, 2022
  5. Free, publicly-accessible full text available September 1, 2022
  6. Diamond grit is widely used in cutting, grinding, and polishing tools for its superior mechanical properties and performance in machining hard materials. Selective laser brazing (SLB) of diamond grits is a new additive manufacturing technique that has great potential to fabricate the next generation of high-performance diamond tools. However, fundamental understanding and quantitative analysis for the design and tuning of the SLB process and the resulting bonding efficiency are not yet established as the process is complicated by heating, fusion, wetting, solidification, grit migration, bonding, reaction, and the interplay between these effects. We present a thermodynamically consistent phase-field theoretical modelmore »for the prediction of melting and wetting of SLB on diamond grits using a powder-based additive manufacturing technique. The melting dynamics is driven by laser heating in a chamber filled with argon gas and is coupled with the motion of multiple three-phase contact lines. The relevant wetting dynamics, interfacial morphology, and temperature distribution are computationally resolved in a simplified two-dimensional (2D) configuration.« less
  7. Baron, J. (Ed.)
    People often use tools for tasks, and sometimes there is uncertainty about whether a given task can be completed with a given tool. This project explored whether, when, and how people’s optimism about successfully completing a task with a given tool is affected by the contextual salience of a better or worse tool. In six studies, participants were faced with novel tasks. For each task, they were assigned a tool but also exposed to a comparison tool that was better or worse in utility (or sometimes similar in utility). In some studies, the tool comparisons were essentially social comparisons, becausemore »the tool was assigned to another person. In other studies, the tool comparisons were merely counterfactual rather than social. The studies revealed contrast effects on optimism, and the effect worked in both directions. That is, worse comparison tools boosted optimism and better tools depressed optimism. The contrast effects were observed regardless of the general type of comparison (e.g., social, counterfactual). The comparisons also influenced discrete decisions about which task to attempt (for a prize), which is an important finding for ruling out superficial scaling explanations for the contrast effects. It appears that people fail to exclude irrelevant tool-comparison information from consideration when assessing their likelihood of success on a task, resulting in biased optimism and decisions.« less