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1.
A hybrid ab initio path integral molecular dynamics/bosonic path integral Monte Carlo simulation method has been developed, implemented and tested, which allows for the reactive simulations of molecules, clusters or complexes solvated by superfluid 4He. The simulation takes into account “on-the-fly” the electronic structure and thus the chemical reactivity of the solutes, in conjunction with the Bose–Einstein statistics, and thus the superfluid character of this peculiar solvent. This enables investigations into cryochemical reactions taking place in helium nanodroplets, such as those used in helium nanodroplet isolation (HENDI) spectroscopy. 相似文献
2.
Applying the boundary element method to electrochemical calculations of primary current distribution
The computation of primary current distribution using the boundary element method has been analysed. A numerical example has been included. Values obtained numerically have been compared with those obtained experimentally. A fairly good accuracy has been observed. Some computational problems occurring when using the boundary element method for electrochemical problems have been discussed. 相似文献
3.
Non-local line method for notched elements with use of effective length calculated in an elasto-plastic condition 下载免费PDF全文
D. Krzyżak G. Robak T. Łagoda 《Fatigue & Fracture of Engineering Materials & Structures》2017,40(1):89-102
The paper presents a non-local line method used to the fatigue life calculation of notched elements. The presented method is based on the concept of an effective length which determines the size of the equivalent fatigue zone. Effective values of normal stress calculated in the critical plane with a weight function were applied when determining the equivalent fatigue zone. Simulation studies were performed for two types of steel and two types of loading. Five different series of tests and simulations were used. Experimental studies were carried out for 40 HM-T and EA4T steels. These materials are used in railway industry, including the manufacturing of coupling bars. The notched test specimens contained notches with a tip radius of 0.2, 0.5, 0.8 and 1 mm. Stress calculations were performed using the finite element method by adopting cyclic material properties described by the model of a multi-linear hardening. Non-local calculations were performed in a defined critical plane for normal stress distribution and a weight function. As a result, the function of variation of the effective length depending on the loading level and geometry of the notch has been determined. 相似文献
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This paper presents the results of a study aimed at validating psychological questionnaires evaluating temperamental and personality features. It discusses their usefulness in diagnosing drivers’ aptitude for safe driving and working as professional drivers. Three psychological questionnaires were validated: the Formal Characteristics of Behaviour – Temperament Inventory (FCB-TI), the Eysenck Personality Questionnaire – Revised and Short Scale (EPQ-R (S)) and the Impulsiveness Questionnaire (IVE). Three groups of drivers (n = 246) aged 19–75 participated in the study. Group I (professional drivers; n = 96) and Group II (nonprofessional drivers; n = 75) had never been involved in road crashes, whereas Group III (nonprofessional drivers; n = 75) were offenders involved in fatal injury road crashes. Criterion-related validity, Cronbach's alpha and Guttman split-half reliability coefficient were in assessing the psychometric properties of the questionnaires. There were some significant differences between Groups II and III for most traits. However, contrary to expectations, higher Emotional Reactivity, Perseveration and lower Endurance as well as higher Neuroticism, Impulsiveness and Venturesomeness were determined for Group II than for Group III. Additionally, the temperament and personality profile of Group II turned out to be less fitted to the profile of safe drivers than that of Group III, whose profile was actually similar to that of Group I. This seems to result from a high tendency for a positive self-presentation among Group I and Group III (a significantly higher result on the Lie scale in comparison with Group II). The results suggest that if psychological tests are to decide on whether a person may be a professional driver or may drive vehicles, the three questionnaires (FCB-TI, EPQ-R(S) and IVE) do not provide a valid diagnosis of professional drivers’ aptitude because of drivers’ high tendency for positive self-presentation. However, they can be used in job counselling and in screening high-risk drivers. 相似文献
6.
STANISŁAW K. DUDA 《International journal of control》2013,86(5):1387-1399
This paper presents a new theory for determining dynamic output feedback of the least order for a linear, time-invariant, controllable and observable SIMO system, such that poles of the closed-loop system lie in a given region Γ in the complex plane. When some poles have prespecified stationary locations in the complex plane, dynamic output feedback is obtained in the sense that the remaining poles lie in Γ This theory applies to continuous-time as well as discrete-time systems. Here a design algorithm for complete system realization and an illustrative example are given. 相似文献
7.
Abstract: Numerical modelling was used to follow the moisture movement and strain in a composite system – an unrestrained, single wood panel coated with a layer of gesso, in response to cyclic sinusoidal variations in relative humidity (RH). The allowable magnitude of the variations, below which physical damage of the gesso layer on the wood does not occur over a selected time of exposure, was derived as a function of cycle duration, panel thickness and moisture diffusion configuration. The dimensional response of wood substrate becomes subject to restraint by the applied layer of gesso. The panels do not respond significantly to diurnal fluctuations or shorter irrespectively of the panel thickness. The panels respond more and more significantly when the duration of the fluctuations increases until a certain critical period at which the panel fully responds to each cycle. The analysis of the data obtained indicates that moderate RH variations within the approximate range 50 ± 15% are safe. This safe range was derived using the extremes of conservative criteria of the gesso’s fatigue fracture and assumption of worst‐case wooden substrate response. The reduction of allowable amplitude of RH cycles because of decrease in the gesso’s modulus of elasticity and thickness is discussed. 相似文献
8.
W. Korcz P. Struciński K. Góralczyk A. Hernik M. Łyczewska M. Matuszak K. Czaja M. Minorczyk J. K. Ludwicki 《Indoor air》2017,27(1):128-135
Polybrominated diphenyl ethers (PBDEs) are used as flame retardants in numerous products, from which they are emitted to the environment, including house dust. House dust is a source of human exposure to these compounds by ingestion. The aim of this article was to determine the levels of selected PBDEs in the house dust and indicate their potential sources of origin. PBDE congeners: BDE‐47, BDE‐99, BDE‐153 and BDE‐209, were analyzed in 129 samples. The geometric mean levels (and 95% CIs) of the aforementioned congeners amounted to 3.8 (3.1–4.7) ng/g, 4.5 (3.5–5.6) ng/g, 2.2 (2.1–2.4) ng/g and 345 (269–442) ng/g respectively. BDE‐209 was the dominant congener in the majority of tested samples. We found a statistically significant correlation between the concentrations of BDE‐47 and the computer operating time per day (rs – 0.18) and the living area (rs – 0.20). Statistically significant higher levels of BDE‐99 were found in homes where the floor was not replaced during the last 2 years. 相似文献
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