Direct Minimization Generating Electronic States with Proper Occupation Numbers

We carry out the direct minimization of the energy functional proposed by Mauri, Galli and Car to derive the correct self-consistent ground state with fractional occupation numbers for a system degenerating at the Fermi level. As a consequence, this approach enables us to determine the electronic structure of metallic systems to a high degree of accuracy without the aid of level broadening of the Fermi-distribution function. The efficiency of the method is illustrated by calculating the ground-state energy of C$_2$ and Si$_2$ molecules and the W(110) surface to which a tungsten adatom is adsorbed.Comment: 4 pages, 4 figure

Electromigration of Single-Layer Clusters

Single-layer atom or vacancy clusters in the presence of electromigration are studied theoretically assuming an isotropic medium. A variety of distinctive behaviors distinguish the response in the three standard limiting cases of periphery diffusion (PD), terrace diffusion (TD), and evaporation-condensation (EC). A general model provides power laws describing the size dependence of the drift velocity in these limits, consistent with established results in the case of PD. The validity of the widely used quasistatic limit is calculated. Atom and vacancy clusters drift in opposite directions in the PD limit but in the same direction otherwise. In absence of PD, linear stability analysis reveals a new type of morphological instability, not leading to island break-down. For strong electromigration, Monte Carlo simulations show that clusters then destabilize into slits, in contrast to splitting in the PD limit. Electromigration affects the diffusion coefficient of the cluster and morphological fluctuations, the latter diverging at the instability threshold. An instrinsic attachment-detachment bias displays the same scaling signature as PD in the drift velocity.Comment: 11 pages, 4 figure

A Novel Adaptation of a Parent-Child Observational Assessment Tool for Appraisals and Coping in Children Exposed to Acute Trauma

Background: Millions of children worldwide are exposed to acute potentially traumatic events (PTEs) annually. Many children and their families experience significant emotional distress and/or functional impairment following PTEs. While current research has begun to highlight a role for early appraisals and coping in promoting or preventing full recovery from PTEs, the exact nature of the relationships among appraisals, coping, and traumatic stress reactions as well as how appraisals and coping behaviors are influenced by the child\u27s environment (e.g., parents) remains unclear; assessment tools that reach beyond self-report are needed to improve this understanding. Objective: The objective of the current study is to describe the newly created Trauma Ambiguous Situations Tool (TAST; i.e., an observational child–parent interview and discussion task that allows assessment of appraisals, coping, and parent–child processes) and to report on initial feasibility and validation of TAST implemented with child–parent dyads in which children were exposed to a PTE. Method: As part of a larger study on the role of biopsychosocial factors in posttraumatic stress reactions, children (aged 8–13) and parents (n=25 child–parent dyads) completed the TAST during the child\u27s hospitalization for injury. Results: Children and parents engaged well with the TAST. The time to administer the TAST was feasible, even in a peri-trauma context. The TAST solicited a wide array of appraisals (threat and neutral) and coping solutions (proactive and avoidant). Forced-choice and open-ended appraisal assessments provided unique information. The parent–child discussion portion of the TAST allowed for direct observation of parent–child processes and demonstrated parental influence on children\u27s appraisals and coping solutions. Conclusions: The TAST is a promising new research tool, which may help to explicate how parents influence their child\u27s developing appraisals and coping solutions following a PTE. More research should examine the relationships of appraisals, coping, and parent–child processes assessed by the TAST with traumatic stress outcomes

The Electronically Activated Recorder or EAR: A Method for the Naturalistic Observation of Daily Social Behavior

This article reviews the Electronically Activated Recorder (EAR) as an ambulatory ecological momentary assessment tool for the real-world observation of daily behavior. Technically, the EAR is an audio recorder that intermittently records snippets of ambient sounds while participants go about their lives. Conceptually, it is a naturalistic observation method that yields an acoustic log of a person’s day as it unfolds. The power of the EAR lies in unobtrusively collecting authentic real-life observational data. In preserving a high degree of naturalism at the level of the raw recordings, it resembles ethnographic methods; through its sampling and coding, it enables larger empirical studies. This article provides an overview of the EAR method; reviews its validity, utility, and limitations; and discusses it in the context of current developments in ambulatory assessment, specifically the emerging field of mobile sensing.National Institutes of Health [R03CA137975, R21HD078778, 3R01AT004698, 5R01AT004698, R01HD069498, R01MH105379, R01MH108641]; Wake Forest University Character Project - John Templeton FoundationThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at [email protected]

Beyond English: Considering Language and Culture in Psychological Text Analysis

The paper discusses the role of language and culture in the context of quantitative text analysis in psychological research. It reviews current automatic text analysis methods and approaches from the perspective of the unique challenges that can arise when going beyond the default English language. Special attention is paid to closed-vocabulary approaches and related methods (and Linguistic Inquiry and Word Count in particular), both from the perspective of cross-cultural research where the analytic process inherently consists of comparing phenomena across cultures and languages and the perspective of generalizability beyond the language and the cultural focus of the original investigation. We highlight the need for a more universal and flexible theoretical and methodological grounding of current research, which includes the linguistic, cultural, and situational specifics of communication, and we provide suggestions for procedures that can be implemented in future studies and facilitate psychological text analysis across languages and cultures. Copyright © 2022 Kučera and Mehl.Open access journalThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at [email protected]

Measurement of the universal gas-constant R using a spherical acoustic resonator

We report a new determination of the Universal Gas Constant R: (8.314 471 ±0.000 014) J·mol−1K−1. The uncertainty in the new value is 1.7 ppm (standard error), a factor of 5 smaller than the uncertainty in the best previous value. The gas constant was determined from measurements of the speed of sound in argon as a function of pressure at the temperature of the triple point of water. The speed of sound was measured with a spherical resonator whose volume was determined by weighing the mercury required to fill it at the temperature of the triple point. The molar mass of the argon was determined by comparing the speed of sound in it to the speed of sound in a standard sample of argon of accurately known chemical and isotoptic composition