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Tytuł:
A Multi-Layer Micro-Perforated Panel Structure Based on Curled Space for Broadband Sound Absorption at Low Frequencies
Autorzy:
Chu, Jiaming
Liang, Xiao
Yang, Zhen
Liang, Haofeng
Chen, Tao
Su, Liang
Zhou, Zhuo
Powiązania:
https://bibliotekanauki.pl/articles/31339792.pdf
Data publikacji:
2023
Wydawca:
Polska Akademia Nauk. Czasopisma i Monografie PAN
Tematy:
micro-perforated plate
curled space
broadband sound absorption
complex frequency plane method
Opis:
In this paper, we propose a multi-layer micro-perforated panel structure based on a curled space for broadband sound absorption at low frequencies, which increases the number of perforated panel layers in a limited space using a curled space. The absorption coefficients of the structure under plane wave conditions were calculated using the transfer matrix method and the finite element method. It is demonstrated that the multilayer micro-perforated panel structure can ensure high absorption (consistently over 90%) in the frequency range of 400~5000 Hz. The sound absorption mechanism of the multi-layer micro-perforated panel structure is investigated by using the acoustic impedance along with the reflection coefficient of the complex frequency surface. In addition, we also discuss the effects of the micro-perforated panel parameters on the structural sound absorption coefficient. The results show that the proposed multi-layer micro-perforated panel structure provides an excellent solution for sound absorption in a limited space.
Źródło:
Archives of Acoustics; 2023, 48, 4; 529-538
0137-5075
Pojawia się w:
Archives of Acoustics
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A novel process for extraction of iron from a refractory red mud
Autorzy:
Ding, Wei
Xiao, Junhui
Peng, Yang
Shen, Siyue
Chen, Tao
Zou, Kai
Wang, Zhen
Powiązania:
https://bibliotekanauki.pl/articles/1450194.pdf
Data publikacji:
2020
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
red mud
sodium sulfate
segregation roasting
magnetic separation
iron recovery
Opis:
Red mud is a kind of solid waste produced during alumina extraction from bauxite. To extraction valuable iron from red mud, the technology of adding sodium sulfate-segregation roasting-magnetic separation to treat red mud was developed. During the paper, the effects of various process parameters on the extraction of iron by segregation roasting-magnetic separation were studied, and the phase transformation behavior and microstructure of iron are explored. Repeated test results showed that magnetic concentrate (mass percent), TFe of 80.29 % and overall iron recovery of 92.08 %was obtained. The X-ray diffraction (XRD) and scanning electron microscopy (SEM) results indicated that after the segregation roasting, the hematite was transformed into a new metal phase consisting mainly of metallic iron and magnetite. The addition of sodium sulfate during the segregation roasting can obviously improve the efficiency of segregation roasting-magnetic separation for iron extraction.
Źródło:
Physicochemical Problems of Mineral Processing; 2020, 56, 6; 125-136
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Method of cooperative formation control for underactuated USVs based on nonlinear backstepping and cascade system theory
Autorzy:
Dong, Zaopeng
Liu, Yang
Wang, Hao
Qin, Tao
Powiązania:
https://bibliotekanauki.pl/articles/1573634.pdf
Data publikacji:
2021
Wydawca:
Politechnika Gdańska. Wydział Inżynierii Mechanicznej i Okrętownictwa
Tematy:
unmanned surface vehicle (USV)
cooperative formation control
underactuated system
nonlinear backstepping
cascade system theory
Opis:
This paper presents a method for the cooperative formation control of a group of underactuated USVs. The problem of formation control is first converted to one of stabilisation control of the tracking errors of the follower USVs using system state transformation design. The followers must keep a fixed distance from the leader USV and a specific heading angle in order to maintain a certain type of formation. A global differential homeomorphism transformation is then designed to create a tracking error system for the follower USVs, in order to simplify the description of the control system. This makes the complex formation control system easy to analyse, and allows it to be decomposed into a cascaded system. In addition, several intermediate state variables and virtual control laws are designed based on nonlinear backstepping, and actual control algorithms for the follower USVs to control the surge force and yaw moment are presented. A global system that can ensure uniform asymptotic stability of the USVs’ cooperative formation control is achieved by combining Lyapunov stability theory and cascade system theory. Finally, several simulation experiments are carried out to verify the validity, stability and reliability of our cooperative formation control method.
Źródło:
Polish Maritime Research; 2021, 1; 149-162
1233-2585
Pojawia się w:
Polish Maritime Research
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Research on speed control of high-speed train based on multi-point model
Autorzy:
Hou, Tao
Guo, Yang-yang
Niu, Hong-xia
Powiązania:
https://bibliotekanauki.pl/articles/224081.pdf
Data publikacji:
2019
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
high-speed train
multi-point model
predictive control
fuzzy control
PID control
speed control
pociąg ekspresowy
model wielopunktowy
sterowanie predykcyjne
sterowanie rozmyte
sterowanie PID
prędkość
Opis:
The traditional train speed control research regards the train as a particle, ignoring the length of the train and the interaction force between carriages. Although this method is simple, the control error is large for high-speed trains with the characteristics of power dispersion. Moreover, in the control process, if the length of the train is not considered, when the train passes the slope point or the curvature point, the speed will jump due to the change of the line, causing a large control error and reducing comfort. In order to improve the accuracy of high-speed train speed control and solve the problem of speed jump when the train runs through variable slope and curvature, the paper takes CRH3 EMU data as an example to establish the corresponding multi-point train dynamics model. In the control method, the speed control of high-speed train needs to meet the fast requirement. Comparing the merits and demerits of classical PID control, fuzzy control and fuzzy adaptive PID control in tracking the ideal running curve of high-speed train, this paper chooses the fuzzy adaptive PID control with fast response. Considering that predictive control can predict future output, a predictive fuzzy adaptive PID controller is designed, which is suitable for high-speed train model based on multi-point. The simulation results show that the multi-point model of the high-speed train can solve the speed jump problem of the train when passing through the special lines, and the predictive fuzzy adaptive PID controller can control the speed of the train with multi-point model, so that the train can run at the desired speed, meeting the requirements of fast response and high control accuracy.
Źródło:
Archives of Transport; 2019, 50, 2; 35-46
0866-9546
2300-8830
Pojawia się w:
Archives of Transport
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Investigations and Comparisons of Active Q-Switching Laser Performances of Composite and Conventional Nd:$YVO_4$ Crystals with Electro-Optic Modulator
Autorzy:
Li, Shixia
Li, Yufei
Zhao, Shengzhi
Li, Guiqiu
Wang, Xiaomei
Yang, Kejian
Li, Tao
Li, Dechun
Powiązania:
https://bibliotekanauki.pl/articles/1398735.pdf
Data publikacji:
2015-03
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
42.55.Xi
42.60.Gd
Opis:
Actively Q-switched laser performances of composite and conventional Nd:$YVO_4$ crystals were investigated and compared with different Nd-doped concentrations of laser media and different repetition rates of electro-optic modulator. Both continuous-wave and actively Q-switched operations were realized experimentally. At an incident pump power of 7.69 W, the shortest pulse duration of 6.5 ns was obtained by the composite Nd(0.1 at.%):$YVO_4$/Nd(0.3 at.%):$YVO_4$/Nd(0.8 at.%):$YVO_4$ crystal at the repetition rate f=2 kHz. However, the composite Nd(0.1 at.%):$YVO_4$/Nd(0.5 at.%):$YVO_4$/Nd(1.0 at.%):$YVO_4$ laser achieved the maximum average output power of 687 mW at f=10 kHz and the largest single pulse energy of 144 μ J at f=2 kHz. Power saturation of the conventional Nd:$YVO_4$ crystal was shown during experiment, while no power saturation was observed on the composite Nd:$YVO_4$crystals, showing good thermo-mechanical performances.
Źródło:
Acta Physica Polonica A; 2015, 127, 3; 711-714
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Simulation studies on the influence of other combustible gases on the characteristics of methane explosions at constant volume and high temperature
Autorzy:
Luo, Zhenmin
Liu, Litao
Gao, Shuaishuai
Wang, Tao
Su, Bin
Wang, Lei
Yang, Yong
Li, Xiufang
Powiązania:
https://bibliotekanauki.pl/articles/1853863.pdf
Data publikacji:
2021
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
gaz palny
ciśnienie wybuchu
temperatura płomienia
constant volume
volume fraction of combustible gas
initial temperature
adiabatic flame temperature
maximum explosion pressure
Opis:
Gas explosions are major disasters in coal mining, and they typically cause a large number of deaths, injuries and property losses. An appropriate understanding of the effects of combustible gases on the characteristics of methane explosions is essential to prevent and control methane explosions. FLACS software was used to simulate an explosion of a mixture of CH4 and combustible gases (C2H4, C2H6, H2, and CO) at various mixing concentrations and different temperatures (25, 60, 100, 140 and 180℃). After adding combustible gases to methane at a constant volume and atmospheric pressure, the adiabatic flame temperature linearly increases as the initial temperature increases. Under stoichiometric conditions (9.5% CH4-air mixture), the addition of C2H4 and C2H6 has a greater effect on the adiabatic flame temperature of methane than H2 and CO at different initial temperatures. Under the fuel-lean CH4-air mixture (7% CH4-air mixture) and fuel-rich mixture (11% CH4-air mixture), the addition of H2 and CO has a greater effect on the adiabatic flame temperature of methane. In contrast, the addition of combustible gases negatively affected the maximum explosion pressure of the CH4-air mixture, exhibiting a linearly decreasing trend with increasing initial temperature. As the volume fraction of the mixed gas increases, the adiabatic flame temperature and maximum explosion pressure of the stoichiometric conditions increase. In contrast, under the fuel-rich mixture, the combustible gas slightly lowered the adiabatic flame temperature and the maximum explosion pressure. When the initial temperature was 140℃, the fuel consumption time was approximately 8-10 ms earlier than that at the initial temperature of 25℃. When the volume fraction of the combustible gas was 2.0%, the consumption time of fuel reduced by approximately 10 ms compared with that observed when the volume fraction of flammable gas was 0.4%.
Źródło:
Archives of Mining Sciences; 2021, 66, 2; 279-295
0860-7001
Pojawia się w:
Archives of Mining Sciences
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Study on separation of fine-particle ilmenite and mechanism using flocculation flotation with sodium oleate and polyacrylamide
Autorzy:
Peng, Yang
Xiao, Junhui
Deng, Bing
Wang, Zhen
Liu, Nengyun
Yang, Daoguang
Ding, Wei
Chen, Tao
Wu, Qiang
Powiązania:
https://bibliotekanauki.pl/articles/1450088.pdf
Data publikacji:
2020
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
sodium oleate
polyacrylamide
synergistic effect
ilmenite
flocculation flotation
Opis:
In this paper, sodium oleate, polyacrylamide, soluble starch and sodium carboxymethyl cellulose were used as flocculants to study the flocculation and sedimentation behavior of microfine ilmenite. Sedimentation test shows that sodium oleate and polyacrylamide have good flocculation effect on ultrafine ilmenite. The flocculation rate of ilmenite can be further improved by the combination of sodium oleate and polyacrylamide. It was found that both flocculants could generate chemical adsorption with ilmenite surface, and they all react with $Fe^{3+}$ on ilmenite surface. However, sodium oleate reacts with $Fe^{3+}$ to form a water-insoluble iron oleate precipitate which coats the surface of the ilmenite and hinders the action of polyacrylamide and the remaining $Fe^{3+}$. This problem can be avoided by adding polyacrylamide followed by sodium oleate, and the flotation recovery can be increased significantly.
Źródło:
Physicochemical Problems of Mineral Processing; 2020, 56, 1; 161-172
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Ultrafiltration treatment of wastewater contained heavy metals complexed with palygorskite
Autorzy:
Ren, Jun
Cao, Tiany
Yang, Xin
Tao, Ling
Powiązania:
https://bibliotekanauki.pl/articles/778555.pdf
Data publikacji:
2020
Wydawca:
Zachodniopomorski Uniwersytet Technologiczny w Szczecinie. Wydawnictwo Uczelniane ZUT w Szczecinie
Tematy:
palygorskite
heavy metals
ultrafiltration
complexation
pH
ionic strength
Opis:
Palygorskite was applied in complexation-ultrafiltration treatment of heavy metals in wastewater under different pH and ionic strength. The results indicated that the rejection of heavy metals increased significantly with pH value, and decreased slightly with an increase of ionic strength of Na+ and Cl-. A certain concentration of NaCl significantly reduced the rejection rate of Cu2+. The rejection of Cu2+, Zn2+ and Cd2+ could reach over 86.8%, 93.6% and 93.7% at pH of 7 and 0.1 mol/L NaCl. The rejection of heavy metals was severely affected by low molecular weight competing complexing agents and the effect of sodium tartrate was greater than triethanolamine. In the presence of sodium tartrate, the rejection of Cu2+, Zn2+ and Cd2+ could arrive over 81.4%, 57.6% and 60.5% at pH of 7 in 20 min. Palygorskite was offered a potential complexing agent for the removal of heavy metals in wastewater at the complexation-ultrafiltration process.
Źródło:
Polish Journal of Chemical Technology; 2020, 22, 4; 1-9
1509-8117
1899-4741
Pojawia się w:
Polish Journal of Chemical Technology
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Thermodynamics and Kinetics Analysis on Carbothermic Reduction of Calcined Magnesite in Vacuum
Autorzy:
Tang, Qifeng
Ao, Jinqing
Peng, Biyou
Guo, Biao
Yang, Tao
Powiązania:
https://bibliotekanauki.pl/articles/2125546.pdf
Data publikacji:
2022
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
calcined magnesite
carbothermic reduction
vacuum
thermodynamics
kinetics
Opis:
The carbothermic reduction of calcined magnesite in vacuum was studied. By thermodynamic analysis, the starting temperature of reduction reaction dropped from 2173K to 1523K when system pressure dropped from 1 atmosphere to 100 Pa. The experiments were carried out at different conditions under 10~100 Pa and the experimental results shown that the reduction extent of MgO improved by increasing the reaction temperature and time, the pellet forming pressure as well as adding fluoride as catalyst. The rate-determining step of carbothermic reduction process was gas diffusion with the apparent activation energy of 241.19~278.56 kJ/mol.
Źródło:
Archives of Metallurgy and Materials; 2022, 67, 3; 1021--1026
1733-3490
Pojawia się w:
Archives of Metallurgy and Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Research on hybrid modeling and predictive energy management for power split hybrid electric vehicle
Autorzy:
Wang, Shaohua
Zhang, Sheng
Shi, Dehua
Sun, Xiaoqiang
Yang, Tao
Powiązania:
https://bibliotekanauki.pl/articles/2173576.pdf
Data publikacji:
2021
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
power split HEV
energy management
mixed logical dynamical model
piecewise affine
model predictive control
podział mocy
zarządzanie energią
silnik hybrydowy
model dynamiczny
model mieszany
model logiczny
technologia fragmentarycznie pokrewna
kontrola predykcyjna modelu
Opis:
Due to the coexistence of continuity and discreteness, energy management of a multi-mode power split hybrid electric vehicle (HEV) can be considered a typical hybrid system. Therefore, the hybrid system theory is applied to investigate the optimum energy distribution strategy of a power split multi-mode HEV. In order to obtain a unified description of the continuous/discrete dynamics, including both the steady power distribution process and mode switching behaviors, mixed logical dynamical (MLD) modeling is adopted to build the control-oriented model. Moreover, linear piecewise affine (PWA) technology is applied to deal with nonlinear characteristics in MLD modeling. The MLD model is finally obtained through a high level modeling language, i.e. HYSDEL. Based on the MLD model, hybrid model predictive control (HMPC) strategy is proposed, where a mixed integer quadratic programming (MIQP) problem is constructed for optimum power distribution. Simulation studies under different driving cycles demonstrate that the proposed control strategy can have a superior control effect as compared with the rule-based control strategy.
Źródło:
Bulletin of the Polish Academy of Sciences. Technical Sciences; 2021, 69, 3; art. no. e137064
0239-7528
Pojawia się w:
Bulletin of the Polish Academy of Sciences. Technical Sciences
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Research on hybrid modeling and predictive energy management for power split hybrid electric vehicle
Autorzy:
Wang, Shaohua
Zhang, Sheng
Shi, Dehua
Sun, Xiaoqiang
Yang, Tao
Powiązania:
https://bibliotekanauki.pl/articles/2128153.pdf
Data publikacji:
2021
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
power split HEV
energy management
mixed logical dynamical model
piecewise affine
model predictive control
podział mocy
zarządzanie energią
silnik hybrydowy
model dynamiczny
model mieszany
model logiczny
technologia fragmentarycznie pokrewna
kontrola predykcyjna modelu
Opis:
Due to the coexistence of continuity and discreteness, energy management of a multi-mode power split hybrid electric vehicle (HEV) can be considered a typical hybrid system. Therefore, the hybrid system theory is applied to investigate the optimum energy distribution strategy of a power split multi-mode HEV. In order to obtain a unified description of the continuous/discrete dynamics, including both the steady power distribution process and mode switching behaviors, mixed logical dynamical (MLD) modeling is adopted to build the control-oriented model. Moreover, linear piecewise affine (PWA) technology is applied to deal with nonlinear characteristics in MLD modeling. The MLD model is finally obtained through a high level modeling language, i.e. HYSDEL. Based on the MLD model, hybrid model predictive control (HMPC) strategy is proposed, where a mixed integer quadratic programming (MIQP) problem is constructed for optimum power distribution. Simulation studies under different driving cycles demonstrate that the proposed control strategy can have a superior control effect as compared with the rule-based control strategy.
Źródło:
Bulletin of the Polish Academy of Sciences. Technical Sciences; 2021, 69, 3; e137064, 1--15
0239-7528
Pojawia się w:
Bulletin of the Polish Academy of Sciences. Technical Sciences
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Analysis of marine risers subjected to shoal/deep water in the installation process
Autorzy:
Wang, Yikun
Luo, Songxiang
Yang, Mo
Qin, Tao
Zhao, Jing
Yu, Gang
Powiązania:
https://bibliotekanauki.pl/articles/32899597.pdf
Data publikacji:
2022
Wydawca:
Politechnika Gdańska. Wydział Inżynierii Mechanicznej i Okrętownictwa
Tematy:
sail catamaran
green shipping
zero emission
hybrid propulsion
Opis:
The dynamics of the installation process of marine risers subjected to shoal/deep seawater is studied. The riser is assumed to be a cantilevered Euler‒Bernoulli beam. The upper end of the riser is clamped on the vessel or the drilling platform. The lower end of the riser is connected to the Blowout Preventer Stack (BOPs) and Lower Marine Risers Package (LMRP). The lateral fluid forces induced by the sea wave and sea current are introduced into the governing equations of motion. The lateral displacement and stress distributions of the riser are obtained by solving the governing equation of the riser via Galerkin’s discretisation scheme and a fourth-order Runge‒Kutta algorithm. The results indicate that the riser exhibits different behaviours under various depths because of the different distributions of the flow velocity ranging from the sea surface to the seabed. In the case of shoal water, the dynamics of the riser are dominated by the sea wave, while in the case of deep water it is affected mainly by the sea current velocity and sea surface wind velocity.
Źródło:
Polish Maritime Research; 2022, 2; 43-54
1233-2585
Pojawia się w:
Polish Maritime Research
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Characterized Microstructure and Electrical Properties of Hydrogenated Nanocrystalline Silicon Films by Raman and Electrical Conductivity Spectra
Autorzy:
Xiao-Yong, Gao
Jian-Tao, Zhao
Yu-Fen, Liu
Qing-Geng, Lin
Yong-Sheng, Chen
Jin-Hua, Gu
Shi-E, Yang
Jing-Xiao, Lu
Powiązania:
https://bibliotekanauki.pl/articles/1808127.pdf
Data publikacji:
2009-03
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.23.Cq
73.61.-r
Opis:
Microstructure and electrical properties of hydrogenated nanocrystalline silicon (nc-Si:H) film deposited on glass substrate at low temperature were characterized by average grain size, crystallinity, and dark electrical conductivity data obtained from the Raman and electrical conductivity spectroscopy, respectively. The average grain size, crystallinity and electrical conductivity have a similar change with substrate temperature. A threshold substrate temperature determined by silane concentration appears in their corresponding spectroscopy vs. substrate temperature. The dependence of crystallinity, average grain size and electrical conductivity on substrate temperature were accounted for by surface diffusion model and heterojunction quantum dot model, respectively.
Źródło:
Acta Physica Polonica A; 2009, 115, 3; 738-741
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Infrared small-target detection under a complex background based on a local gradient contrast method
Autorzy:
Yang, Linna
Xie, Tao
Liu, Mingxing
Zhang, Mingjiang
Qi, Shuaihui
Yang, Jungang
Powiązania:
https://bibliotekanauki.pl/articles/2201024.pdf
Data publikacji:
2023
Wydawca:
Uniwersytet Zielonogórski. Oficyna Wydawnicza
Tematy:
small target detection
local gradient contrast
visual saliency
infrared image processing
kontrast lokalny
wyróżnienie wizualne
obrazowanie w podczerwieni
Opis:
Small target detection under a complex background has always been a hot and difficult problem in the field of image processing. Due to the factors such as a complex background and a low signal-to-noise ratio, the existing methods cannot robustly detect targets submerged in strong clutter and noise. In this paper, a local gradient contrast method (LGCM) is proposed. Firstly, the optimal scale for each pixel is obtained by calculating a multiscale salient map. Then, a subblockbased local gradient measure is designed; it can suppress strong clutter interference and pixel-sized noise simultaneously. Thirdly, the subblock-based local gradient measure and the salient map are utilized to construct the LGCM. Finally, an adaptive threshold is employed to extract the final detection result. Experimental results on six datasets demonstrate that the proposed method can discard clutters and yield superior results compared with state-of-the-art methods.
Źródło:
International Journal of Applied Mathematics and Computer Science; 2023, 33, 1; 33--43
1641-876X
2083-8492
Pojawia się w:
International Journal of Applied Mathematics and Computer Science
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A Hybrid Density Functional Study on PuN
Autorzy:
Yang, Rong
Tang, Bin
Gao, Tao
Powiązania:
https://bibliotekanauki.pl/articles/1029819.pdf
Data publikacji:
2018-01
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
plutonium mononitride
density-functional theory
hybrid functional
Opis:
The structural, magnetic, electronic, dynamical and thermodynamic properties of PuN have been studied within the frameworks of the density-functional theory, DFT+U and hybrid DFT. The calculations have been performed using the full-potential-linearized augmented plane-wave method. The ferromagnetic and antiferromagnetic configurations are considered in this work. The lattice constants, bulk moduli, densities of states, and thermodynamic data have been computed and compared to available experimental data and other theoretical calculations published in the literature. Total energy results obtained with DFT+U and hybrid DFT indicate that the ground state of PuN is antiferromagnetic, in agreement with experiment. The chemical bonds between Pu and N have a mixture of covalent and ionic components, but the ionic character is stronger than covalent character. The phonon dispersion curves and the optical-mode frequencies are also reported. At last, the effect of spin-orbit coupling on the structural, magnetic, and electronic properties of PuN has been discussed.
Źródło:
Acta Physica Polonica A; 2018, 133, 1; 32-38
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
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