Configurational temperature control for atomic and molecular systems

A new configurational temperature thermostat suitable for molecules with holonomic constraints is derived. This thermostat has a simple set of motion equations, can generate the canonical ensemble in both position and momentum space, acts homogeneously through the spatial coordinates, and does not intrinsically violate the constraints. Our new configurational thermostat is closely related to the kinetic temperature Nosé-Hoover thermostat with feedback coupled to the position variables via a term proportional to the net molecular force. We validate the thermostat by comparing equilibrium static and dynamic quantities for a fluid of n-decane molecules under configurational and kinetic temperature control. Practical aspects concerning the implementation of the new thermostat in a molecular dynamics code and the potential applications are discussed

Are you as important as me? Self-other discrimination within trait-adjective processing

The final publication is available at Elsevier via http://dx.doi.org/10.1016/j.bandc.2020.105569. © 2020. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/Healthy adults typically display enhanced processing for self- (relative to other-) relevant and positive (relative to negative) information. However, it is unclear whether these two biases interact to form a self-positivity bias, whereby self-positive information receives prioritized processing. It is also unclear how a blocked versus mixed referent design impacts reference and valence processing. We addressed these questions using behavioral and electrophysiological indices across two studies using a Self-Referential Encoding Task, followed by surprise recall and recognition tasks. Early (P1) and late (LPP) event-related potentials were time-locked to a series of trait adjectives, encoded relative to oneself or a fictional character, with referent presented in a blocked (Exp. 1) or mixed (Exp. 2) trial design. Regardless of study design, participants recalled and recognized more self- than other-relevant adjectives, and recognized more positive than negative adjectives. Additionally, participants demonstrated larger LPP amplitudes for self-relevant and positive adjectives. The LPP self-relevance effect emerged earlier and persisted longer in the blocked (400–800 ms) versus mixed design (600–800 ms). The LPP valence effect was not apparent in the blocked design, but appeared late in the mixed design (600–1200 ms). Critically, the interaction between self-relevance and valence appeared only behaviorally in the mixed design, suggesting that overall self-relevance and valence independently impact neural socio-cognitive processing.This work was supported by grants from the Natural Sciences and Engineering Research Council of Canada (NSERC Discovery Grant #418431), the Canada Foundation for Innovation (CFI, #213322), and the Canada Research Chair program (CRC #230407) awarded to RJI, and by the Social Science and Humanities Research Council (SSHERC Insight grant #435-2016-0494) awarded to HAH

Reactor cell calculations for some cylindrically symmetric fuel elements surrounded by moderator /

"August 15, 1955.""APEX-362 ; UC-34 Physics and Mathematics ; TID 4500 (13th ed. rev.)"Mode of access: Internet