Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation

Self-consistent correlation potentials for H$_2$ and LiH for various inter-atomic separations are obtained within the random phase approximation (RPA) of density functional theory. The RPA correlation potential shows a peak at the bond midpoint, which is an exact feature of the true correlation potential, but lacks another exact feature: the step important to preserve integer charge on the atomic fragments in the dissociation limit. An analysis of the RPA energy functional in terms of fractional charge is given which confirms these observations. We find that the RPA misses the derivative discontinuity at odd integer particle numbers but explicitly eliminates the fractional spin error in the exact-exchange functional. The latter finding explains the accurate total energy in the dissociation limit.Comment: 9 pages, 10 figure

Survival, Habitat Selection, and Body Condition of the Woodchuck (\u3ci\u3eMarmota monax\u3c/i\u3e) across an Urban-rural Gradient

Urban-adapter species facultatively exploit human-subsidized resources in the urban and suburban matrix. We used the woodchuck (Marmota monax) to study how aspects of autecology in an urban-adapter can vary across a gradient of urbanization. We captured and monitored woodchucks by radiotelemetry in southern Illinois from summer 2007 to spring 2009. We captured 47 woodchucks (19 adults, 19 yearlings, 8 young-of-the-year) during the active seasons, and implanted radiotransmitters in 17 adults and 3 yearlings (13 F, 7 M). Overall annual survival was estimated to be 0.76 ± 0.12, with three confirmed mortalities during the study period. Survival and home-range size did not vary by % urban landcover in a buffer surrounding an individual\u27s home range. Habitat-selection analyses indicated that rural edge was the highest-ranked habitat at the home-range scale, whereas urban cover (specifically, developed areas with human structures) was most highly ranked at the within-home-range scale. Body condition was negatively related to % urban landcover. Overall, our findings indicated no clear relationship between woodchuck ecology and urbanization level within our study area. However, our data on body condition and adipose composition, although preliminary, suggested a possible mechanism for variation in overwinter survival across the urban-rural gradient

High-Impact Mechanical Loading Increases Bone Material Strength in Postmenopausal Women-A 3-Month Intervention Study.

Bone adapts to loading in several ways, including redistributing bone mass and altered geometry and microarchitecture. Because of previous methodological limitations, it is not known how the bone material strength is affected by mechanical loading in humans. The aim of this study was to investigate the effect of a 3-month unilateral high-impact exercise program on bone material properties and microarchitecture in healthy postmenopausal women. A total of 20 healthy and inactive postmenopausal women (aged 55.6 ± 2.3 years [mean ± SD]) were included and asked to perform an exercise program of daily one-legged jumps (with incremental number, from 3×10 to 4×20 jumps/d) during 3 months. All participants were asked to register their performed jumps in a structured daily diary. The participants chose one leg as the intervention leg and the other leg was used as control. The operators were blinded to the participant's choice of leg for intervention. The predefined primary outcome was change in bone material strength index (BMSi), measured at the mid tibia with a handheld reference probe indentation instrument (OsteoProbe). Bone microstructure, geometry, and density were measured with high-resolution peripheral quantitative computed tomography (XtremeCT) at the ultradistal and at 14% of the tibia bone length (distal). Differences were analyzed by related samples Wilcoxon signed rank test. The overall compliance to the jumping program was 93.6%. Relative to the control leg, BMSi of the intervention leg increased 7% or 0.89 SD (p = 0.046), but no differences were found for any of the XtremeCT-derived bone parameters. In conclusion, a unilateral high-impact loading program increased BMSi in postmenopausal women rapidly without affecting bone microstructure, geometry, or density, indicating that intense mechanical loading has the ability to rapidly improve bone material properties before changes in bone mass or structure. © 2018 The Authors. Journal of Bone and Mineral Research Published by Wiley Periodicals Inc

The cognitive/affective distinction of job insecurity: Validation and differential relations

Job insecurity as a work-related stressor is well established through three decades of research. It has been related to outcomes such as decreased job satisfaction, organisational commitment and performance as well as increased ill-health and organisational turnover. However, some important conceptual and theoretical issues are still under discussion, with implications for the measurement of the construct. We administered a short version of the measure of job insecurity originally devised by De Witte (2000), which distinguishes between cognitive and affective job insecurity. Data on job satisfaction, commitment, psychological ill-health and emotional exhaustion were also gathered from employees in a variety of South African organisations (N=1925) by means of anonymous surveys. Exploratory and confirmatory factor analyses revealed that the cognitive and affective dimensions of job insecurity could be distinguished in this sample of South African employees, and the two dimensions evidenced adequate reliability. Equivalence analyses showed that the measurement properties of the scale were invariant across various demographic groups. The relationships with outcome variables were investigated by means of correlations and regression analyses. Cognitive job insecurity was predictive of all outcome variables, whereas affective job insecurity primarily played a role for emotional exhaustion. Norm data concerning levels of cognitive and affective job insecurity are presented to guide future South African studies.Key words: Job insecurity, job satisfaction, validation, equivalence analysis, factorial invarianc

Dynamics of a Black Bear Population within a Desert Metapopulation

Understanding metapopulation dynamics in large carnivores with naturally fragmented populations is difficult because of the large temporal and spatial context of such dynamics. We coupled a long-term database of visitor sighting records with an intensive 3-year telemetry study to describe population dynamics of recolonization by black bears (Ursus americanus) of Big Bend National Park in Texas during 1988–2002. This population, which occurs within a metapopulation in western Texas and northern Mexico, increased from a single pair of known breeding-age animals in 1988 to 29 bears (including 6 females of breeding age) in March 2000 (λ = 1.25/year). A migration and dispersal event in August–December 2000 reduced the population to 2 adult females and as few as 5–7 individuals. One-way movement distances from the study area during this event averaged 76 km for females (n = 7) and 92 km for males (n = 4), and 3 animals conducted migrations of at least 154, 178, and 214 km, respectively. Our observations exemplify the importance of stochastic events on demographics of small populations and highlight the potential scale of bear movement among montane islands of southwestern North America. They also provide insight into the use of dispersal data in parameterizing metapopulation models for large carnivores

Impact of automated driving systems on road freight transport and electrified propulsion of heavy vehicles

The technological barriers to automated driving systems (ADS) are being quickly overcome to deploy on–road vehicles that do not require a human driver on–board. ADS have opened up possibilities to improve mobility, productivity, logistics planning, and energy consumption. However, further enhancements in productivity and energy consumption are required to reach CO2–reduction goals, owing to increased demands on transportation. In particular, in the freight sector, incorporation of automation with electrification can meet necessities of sustainable transport. However, the profitability of battery electric heavy vehicles (BEHVs) remains a concern. This study found that ADS led to profitability of BEHVs, which remained profitable for increased travel ranges by a factor of four compared to that of BEHVs driven by humans. Up to 20% reduction in the total cost of ownership of BEHVs equipped with ADS could be achieved by optimizing the electric propulsion system along with the infrastructure for a given transportation task. In that case, the optimized propulsion system might not be similar to that of a BEHV with a human driver. To obtain the results, the total cost of ownership was minimized numerically for 3072 different transportation scenarios that showed the effects of travel distance, road hilliness, average reference speed, and vehicle size on the incorporated electrification and automation, and compared to that of conventional combustion–powered heavy vehicles

Compensation profiles among private sector employees in Sweden: Differences in work-related and health-related outcomes

How experiences and perceptions of pay and pay setting relate to employees’ job performance, willingness to remain in the organization, and health has been the subject of much debate. Previous research has typically used a variable-centered approach to investigate associations between different pay-related factors and such outcomes. In contrast, we used latent profile analysis to explore combinations of compensation characteristics (pay level, perceived horizontal pay dispersion, and procedural quality, i.e., transactional leadership and procedural pay-setting justice), combining relevant theories on the subject. Based on a nationally representative sample of private sector employees in Sweden (N = 1,146), our study identified six compensation profiles. Our key findings show, first, that higher levels of pay were generally associated with better performance, lower turnover intention, better self-rated health, and lower work-related exhaustion, especially when combined with perceptions of high procedural quality. Second, in terms of perceived horizontal pay dispersion, the results indicate that pay compression may be associated with beneficial outcomes, particularly when combined with high procedural quality. Third, procedural quality was generally associated with favorable work-related and health-related outcomes, although such positive effects may be contingent upon pay level and perceived horizontal pay dispersion. In conclusion, while pay level, perceptions of horizontal pay dispersion, and procedural quality may all matter for employee outcomes, it is important to consider their combinations

Transportation-mission-based Optimization of Heterogeneous Heavy-vehicle Fleet Including Electrified Propulsion

Commercial-vehicle manufacturers design vehicles to operate over a wide range of transportation tasks and driving cycles. However, certain possibilities of reducing emissions, manufacturing and operational costs from end vehicles are neglected if the target range of transportation tasks is narrow and known in advance, especially in case of electrified propulsion. Apart from real-time energy optimization, vehicle hardware can be meticulously tailored to best fit a known transportation task. As proposed in this study, a heterogeneous fleet of heavy-vehicles can be designed in a more cost- and energy-efficient manner, if the coupling between vehicle hardware, transportation mission, and infrastructure is considered during initial conceptual-design stages. To this end, a rather large optimization problem was defined and solved to minimize the total cost of fleet ownership in an integrated manner for a real-world case study. In the said case-study, design variables of optimization problem included mission, recharging infrastructure, loading--unloading scheme, number of vehicles of each type, number of trips, vehicle-loading capacity, selection between conventional, fully electric, and hybrid powertrains, size of internal-combustion engines and electric motors, number of axles being powered, and type and size of battery packs. This study demonstrated that by means of integrated fleet customization, battery-electric heavy-vehicles could strongly compete against their conventional combustion-powered counterparts. Primary focus has been put on optimizing vehicle propulsion, transport mission, infrastructure and fleet size rather than routing