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Theoretical study of structural phase transition and soft mode behavior in moganite 莫甘石结构相变和软模式行为的理论研究
Pub Date : 2024-02-08 DOI: 10.23647/ca.md20231228
Mikhail B. Smirnov, D. Pankin, E. Roginski, A. Povolotckaia
Changes in the structure and lattice dynamics of the moganite during crystal expansion were studiedusing ab initio calculations within the framework of density functional theory. The results obtained shed light onmany anomalies in the temperature behavior of this crystal, such as the presence of a phase transition, soft modecondensation, elastic anomalies and negative thermal expansion. Comparison of the structural and dynamicproperties of moganite and quartz opens up new possibilities for their identification in natural samples of mixedcomposition.
在密度泛函理论的框架内,通过反初始计算研究了晶体膨胀过程中莫干石结构和晶格动力学的变化。研究结果揭示了该晶体温度行为中的许多异常现象,如存在相变、软模缩合、弹性异常和负热膨胀。对莫干石和石英的结构和动态特性进行比较,为在混合成分的天然样品中识别它们提供了新的可能性。
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引用次数: 0
Theoretical study of structural phase transition and soft mode behavior in moganite 莫甘石结构相变和软模式行为的理论研究
Pub Date : 2024-02-08 DOI: 10.23647/ca.md20231228
Mikhail B. Smirnov, D. Pankin, E. Roginski, A. Povolotckaia
Changes in the structure and lattice dynamics of the moganite during crystal expansion were studiedusing ab initio calculations within the framework of density functional theory. The results obtained shed light onmany anomalies in the temperature behavior of this crystal, such as the presence of a phase transition, soft modecondensation, elastic anomalies and negative thermal expansion. Comparison of the structural and dynamicproperties of moganite and quartz opens up new possibilities for their identification in natural samples of mixedcomposition.
在密度泛函理论的框架内,通过反初始计算研究了晶体膨胀过程中莫干石结构和晶格动力学的变化。研究结果揭示了该晶体温度行为中的许多异常现象,如存在相变、软模缩合、弹性异常和负热膨胀。对莫干石和石英的结构和动态特性进行比较,为在混合成分的天然样品中识别它们提供了新的可能性。
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引用次数: 0
What is the weight: how and why it occursfor gaseous matter 什么是重量:气体物质如何产生重量及其原因
Pub Date : 2024-02-05 DOI: 10.23647/ca.md20231226
Mikhail B. Smirnov, Andrey Mirgorodsky
A pure mechanical approach is proposed to gain a more penetrating insight into the physical meaning of the body’s weight, in deducing its notion just from the Newton’s equation for the body moving along the gravitational field. In that view, the body is weighty when its acceleration along the g-field is other than g. The approach was used for to account the occurrence of the gaseous matter weight that was regarded by us as some sort of experimentum crucis capable of estimating its validity. According to the results obtained, the body’s weight is a physical reality fundamentally different from the force of gravity, and represents the inevitable factor assuring the fulfilment of the momentum conservation law in the body – Earth system.
为了更深入地了解物体重量的物理意义,我们提出了一种纯粹的力学方法,即仅仅从牛顿关于沿引力场运动的物体的方程中推导出物体重量的概念。根据这一观点,当物体沿重力场的加速度小于 g 时,它就是有重量的。我们使用这种方法来解释气态物质重量的发生,并将其视为某种能够估计其有效性的十字架实验。根据所获得的结果,人体重量是与重力有本质区别的物理现实,是确保在人体-地球系统中实现动量守恒定律的必然因素。
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引用次数: 0
What is the weight: how and why it occursfor gaseous matter 什么是重量:气体物质如何产生重量及其原因
Pub Date : 2024-02-05 DOI: 10.23647/ca.md20231226
Mikhail B. Smirnov, Andrey Mirgorodsky
A pure mechanical approach is proposed to gain a more penetrating insight into the physical meaning of the body’s weight, in deducing its notion just from the Newton’s equation for the body moving along the gravitational field. In that view, the body is weighty when its acceleration along the g-field is other than g. The approach was used for to account the occurrence of the gaseous matter weight that was regarded by us as some sort of experimentum crucis capable of estimating its validity. According to the results obtained, the body’s weight is a physical reality fundamentally different from the force of gravity, and represents the inevitable factor assuring the fulfilment of the momentum conservation law in the body – Earth system.
为了更深入地了解物体重量的物理意义,我们提出了一种纯粹的力学方法,即仅仅从牛顿关于沿引力场运动的物体的方程中推导出物体重量的概念。根据这一观点,当物体沿重力场的加速度小于 g 时,它就是有重量的。我们使用这种方法来解释气态物质重量的发生,并将其视为某种能够估计其有效性的十字架实验。根据所获得的结果,人体重量是与重力有本质区别的物理现实,是确保在人体-地球系统中实现动量守恒定律的必然因素。
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引用次数: 0
Real Solar Cell and Determination Methods of Electrical Parameters 真实太阳能电池及电学参数的测定方法
Pub Date : 2023-05-12 DOI: 10.23647/ca.md20230106
El Hadji Keita, M. Dia, F. Mbaye, C. Sow, C. Sene, B. Mbow
In this work, we develop methods to determine the characteristic electrical parameters of a photovoltaic cell such as the photocurrent density (Jph), the saturation current density (J0), the short-circuit current density (Jsc), the open-circuit voltage (Voc), the maximum power density point (Jm , Vm), the fill factor (FF) and the electrical conversion efficiency (etaC) according to the irradiance spectrum. The real solar cell model is considered for the determination of these various parameters. This model takes into account the effect of shunt and series resistances (parasitic resistances). Notions of semiconductor physics, continuity equation of charge carriers combined to optoelectronic and geometrical properties of the materials, numerical resolution method to solve implicit equations based on characteristic equation of a photodiode, are notions mainly exploited to determine electrical parameters of the real solar cell. The results are applied to the heterostructures ZnO(n+)/CdS(n)/CuInS2(p)/ CuInSe2(p+) named CIS and ZnO(n+)/CdS(n)/CuInSe2(p)/CuInS2(p+) named CISE to evaluate their performances according to the considered parameters. The results obtained for each structure, photocurrent density ~ 17 mA.cm-2 (CIS) and 31 mA.cm-2 (CISE), short-circuit current density ~ 16.79 - 17 mA.cm-2 (CIS) and 30.62 - 31 mA.cm-2 (CISE), open-circuit voltage ~ 0.76 V (CIS) and 0.52 V (CISE), fill factor ~ 0.648 - 0.745 (CIS) and 0.545 - 0.677 (CISE), maximum power density ~ 8.28 - 9.69 mW.cm-2 (CIS) and 8.72 - 11.02 mW.cm-2 (CISE), saturation current ~ 4.117×10-8 mA.cm-2 (CIS) and 1.169×10-3 mA.cm-2 (CISE), are in the same magnitude order as the values published in the literature. We obtain under AM 1.5 solar spectrum and taken into account the parasitic resistances, a theoretical conversion efficiency ranging from 9.93% to 11.62% for the model CIS and from 10.46% to 13.22% for the model CISE. Thus, these results allow to validate the various models established to model the phenomena studied.
在这项工作中,我们开发了根据辐照光谱确定光电流密度(Jph)、饱和电流密度(J0)、短路电流密度(Jsc)、开路电压(Voc)、最大功率密度点(Jm, Vm)、填充因子(FF)和电转换效率(etaC)等光伏电池特征电参数的方法。为了确定这些参数,我们考虑了真实的太阳能电池模型。该模型考虑了并联电阻和串联电阻(寄生电阻)的影响。半导体物理学的概念,结合材料的光电和几何性质的载流子的连续性方程,基于光电二极管特征方程求解隐式方程的数值解析方法,是确定实际太阳能电池电学参数的主要概念。将所得结果应用于ZnO(n+)/CdS(n)/CuInS2(p)/ CuInS2(p+)异质结构CIS和ZnO(n+)/CdS(n)/CuInS2(p +) CISE,根据所考虑的参数对其性能进行评价。结果表明,对于每种结构,光电流密度~ 17 mA。cm-2 (CIS)和31 mA。cm-2 (CISE),短路电流密度~ 16.79 ~ 17ma。cm-2 (CIS)和30.62 - 31 mA。cm-2 (CISE),开路电压~ 0.76 V (CIS)和0.52 V (CISE),填充系数~ 0.648 ~ 0.745 (CIS)和0.545 ~ 0.677 (CISE),最大功率密度~ 8.28 ~ 9.69 mW。cm-2 (CIS)和8.72 - 11.02 mW。cm-2 (CISE),饱和电流~ 4.117×10-8 mA。cm-2 (CIS)和1.169×10-3 mA。cm-2 (CISE),与文献中公布的值在同一数量级。在AM 1.5太阳光谱下,考虑寄生电阻,模型CIS的理论转换效率为9.93% ~ 11.62%,模型CISE的理论转换效率为10.46% ~ 13.22%。因此,这些结果可以验证为模拟所研究的现象而建立的各种模型。
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引用次数: 0
A critical view on citation index a discussion with ChatGPT 对引文索引的批判——与ChatGPT的讨论
Pub Date : 2023-05-12 DOI: 10.23647/ca.md20230123
Pierre Saint-Gregoire
This “opinion article” presents the “dialogue”, namely the series of questions addressed to chatGPT and its outputs, on the question of citation index and other metrics associated with scientific publication. The AI is asked to explain basic quantities (citation index, impact factor of journals, h-index, etc) and through different questions, to give outputs on different important problems, mainly related with citation index and its biases. The AI clearly expresses that the citation index alone should not be used for evaluation purposes, and is led to predict that in certain situations a high quality scientific article would be with a low citation index. The AI also replies that the citation index depends on several factors in a complex way, and is probably not defined in an unambiguous way from a mathematical point of view, but it appears unable to explain evolutions in the field of informetrics that occurred following issues with citation index. The article concludes that the citation index is irrelevant as it is not normalized and strongly depends on the publishing journal and databases, and that it is potentially dangerous for science.
这篇“观点文章”提出了“对话”,即针对chatGPT及其产出的一系列问题,涉及引文索引和其他与科学出版物相关的指标问题。要求人工智能解释基本数量(引文索引、期刊影响因子、h-index等),并通过不同的问题,对不同的重要问题给出输出,主要与引文索引及其偏倚有关。人工智能明确表示,引文索引不应该单独用于评估目的,并被引导预测在某些情况下,高质量的科学文章可能具有较低的引文索引。人工智能还回答说,引文索引以一种复杂的方式取决于几个因素,从数学的角度来看,可能没有以明确的方式定义,但它似乎无法解释引文索引出现问题后信息计量学领域的演变。这篇文章的结论是,引文索引是不相关的,因为它不是标准化的,并且强烈依赖于出版期刊和数据库,它对科学有潜在的危险。
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引用次数: 0
Electrical capturing system for train supplying and involving parameters 列车供电及参数采集系统
Pub Date : 2022-11-22 DOI: 10.23647/ca.md20221127
S. Ait Ahmed, Y. Gagou, B. Jonckheere, R. Bouzerar
Electric trains are powered by a current distribution device which depends on several parameters. The research works presented in this paper are located upstream of two types of important applications in the railway field: the electrical supply of trains involving the sliding or stationary pantograph/catenary contact and the famous problem of shunting of trains involving the wheel/rail rolling contact. These cannot be assumed without energy loss. In the case of train navigation, electric current can be transmitted by spots established between sources and the carbon strip. The quality of the pantograph/catenary contact obeys very strict specifications to ensure its maintenance, for permanent current connection. However mechanical aging of the contact and/or infrastructures, alteration of electrical contacts due to electrical arcing, the wear of collection strips during sliding, aging of the materials, are limiting effect for current flow. In this paper we will explicitly describe all the elements necessary to supply trains with electric current.
电动列车由一个电流分配装置提供动力,该装置取决于几个参数。本文的研究工作位于铁路领域两类重要应用的上游:涉及滑动或静止受电弓/接触网接触的列车供电问题和涉及轮轨滚动接触的列车调车问题。这些假设不可能没有能量损失。在火车导航的情况下,电流可以通过在电源和碳带之间建立的点来传输。受电弓/接触网接触的质量遵循非常严格的规范,以确保其维护,永久电流连接。然而,触点和/或基础设施的机械老化、电弧引起的电触点的改变、滑动过程中收集条的磨损、材料的老化,都是电流流动的限制因素。在本文中,我们将明确地描述为列车供电所必需的所有元素。
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引用次数: 0
Development of a home-made experimental set-up for in situ coupling under vacuum of conductivity measurements, x-ray absorption and Raman Spectroscopies on bundles of single-walled carbon nanotubes intercalated with alkali metals 开发了一种自制的实验装置,用于在真空下对插入碱金属的单壁碳纳米管束进行电导率测量、x射线吸收和拉曼光谱的原位耦合
Pub Date : 2022-06-17 DOI: 10.23647/ca.md20220604
Y. Almadori, E. Alibert, J. Barbat, R. Jelinek, G. Prévôt, R. Aznar, V. Brois, J. Bantignies, L. Alvarez
Here, we report the development of a homemade experimental setup to perform under vacuum an in situ study of the physical properties of bundles of single-walled carbon nanotubes intercalated with rubidium ions using electrical conductivity, X-ray absorption and Raman measurements. This set-up was successfully used at the SAMBA beamline at the Soleil synchrotron. The electrical resistance displays an important drop with the stoichiometry (intercalation time). The Raman radial breathing modes and the G-band of the nanotubes clearly indicate an important electron transfer. The G-band behaviour features a transition from semiconducting to metallic nanotubes, confirmed by the electrical resistance measurements as a function of the temperature after rubidium intercalation. This set-up can be used for the study of any type of extremely air sensitive materials.
在这里,我们报告了一个自制的实验装置的发展,在真空和原位研究嵌入铷离子的单壁碳纳米管束的物理性质,使用电导率,x射线吸收和拉曼测量。这种设置成功地应用于Soleil同步加速器的SAMBA光束线。电阻显示一个重要的下降与化学计量(插层时间)。纳米管的拉曼径向呼吸模式和g波段清楚地表明了重要的电子转移。g波段的行为特征是从半导体到金属纳米管的转变,通过电阻测量作为铷嵌入后温度的函数来证实。该装置可用于研究任何类型的极端空气敏感材料。
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引用次数: 0
Microstructure of zirconium carbide ceramics synthesized by spark plasma sintering 放电等离子烧结合成碳化锆陶瓷的微观结构
Pub Date : 2022-05-23 DOI: 10.23647/ca.md20220408
B.A.B. Alawad, H. Abdelbagi, T. Ntsoane, T. Hlatshwayo
Zirconium carbide (ZrC) samples were prepared by spark plasma sintering (SPS), at temperatures of 1700 °C, 1900 °C and 2100 °C, all at pressure of 50 megapascal (MPa). The density of ZrC ceramic pellets was measured using a Micromeritics AccuPyc II 1340 Helium Pycnometer. The density of ZrC ceramic pellets was found to increase from (6.51 ± 0.032) g/cm3 to (6.66 ± 0.039) g/cm3 and (6.70 ± 0.017) g/cm3 when the temperature of the SPS was increased from 1700 oC to 1900 oC and 2100 oC respectively. Moreover, the hardness of ZrC ceramic pellets were measured using Rockwell hardness test. The hardness of ZrC ceramic pellets increased from (7.4 ± 0.83) to (17.0 ± 0.073) and (18.4± 0.05) gigapascals (GPa) at temperatures of 1700 oC, 1900 oC and 2100 oC respectively. X-ray diffraction shows the absence of spurious phases or impurity. XRD results showed that, all prepared ZrC samples has the same preferred orientation of the planes (i.e., 200). Furthermore, the average grain size of ZrC was calculated using Sherrers’s equation. The average grain size of the pure ZrC powder increased from 67.46 nm to 72 nm, 79 nm and 83 nm when the ZrC powder was sinteried at temperatures of 1700 oC, 1900 oC and 2100 oC respectively. The differences in the average grain size between the prepared samples leads to show different surface morphologies that monitored by scanning electron microscopy (SEM).
采用火花等离子烧结(SPS)技术,在温度为1700℃、1900℃和2100℃,压力为50兆帕斯卡(MPa)的条件下制备了碳化锆(ZrC)样品。采用Micromeritics AccuPyc II 1340型氦气浓度计测定ZrC陶瓷球的密度。当SPS温度从1700℃增加到1900℃和2100℃时,ZrC陶瓷球团的密度分别从(6.51±0.032)g/cm3增加到(6.66±0.039)g/cm3和(6.70±0.017)g/cm3。采用洛氏硬度试验测定了ZrC陶瓷球团的硬度。在1700℃、1900℃和2100℃温度下,ZrC陶瓷球团的硬度分别从(7.4±0.83)提高到(17.0±0.073)和(18.4±0.05)吉帕斯卡(GPa)。x射线衍射显示没有假相或杂质。XRD结果表明,所有制备的ZrC样品具有相同的平面优选取向(均为200)。利用Sherrers方程计算ZrC的平均晶粒尺寸。在1700℃、1900℃和2100℃的烧结温度下,纯ZrC粉末的平均晶粒尺寸分别从67.46 nm增加到72 nm、79 nm和83 nm。在扫描电子显微镜(SEM)下,制备样品的平均晶粒尺寸的差异导致其表面形貌的不同。
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引用次数: 0
Spectrophysics of Coumarin-Based Chromophore 香豆素基发色团的光谱物理学
Pub Date : 2022-04-09 DOI: 10.23647/ca.md20220327
Faisal Rasool, Amir Sohail
In this work, we comprehensively explore the spectral and photophysical properties of a coumarin-based dye (1) in neat solvents. The modulation of stokes shifts, emission quantum yields (ФF) and excited-state lifetimes of 1by local environment (polarity, polarizability, viscosity and hydrogen bonding) signifies the formation of intramolecular charge state (ICT) from the amino group to the coumarin moiety. Collectively, in the more viscous polar solvents the rotation of the amino group is restricted, exponentially decreasing the non-radiative rate constants (knr). Keywords :#SPECTROPHYSICS #INTERMOLECULAR_CHARGE_TRANSFER #NON-RADIATIVE_RATE_CONSTANT #EXCITED-STATE_LIFETIME #LOCAL_ENVIRONMENT.
在这项工作中,我们全面探索了香豆素基染料(1)在纯溶剂中的光谱和光物理性质。局域环境(极性、极化率、粘度和氢键)对stokes位移、发射量子产率(ФF)和激发态寿命(1)的调制表明了分子内电荷态(ICT)从氨基到香豆素部分的形成。总的来说,在更粘稠的极性溶剂中,氨基的旋转受到限制,指数降低了非辐射速率常数(knr)。关键词:#光谱物理#分子间电荷转移#非辐射率常数#激发态寿命#局部环境。
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引用次数: 0
期刊
OAJ Materials and Devices
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