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Research of CdS/L-cystein colloid solutions using the method of mathematical planning 利用数学规划方法研究 CdS/L-cystein 胶体溶液
Pub Date : 2024-02-09 DOI: 10.15330/pcss.25.1.45-50
O. Krupko
In the work, the additive effect of the content of crystal-forming ions Сd2+ and S2- and the stabilizer L-Cys using the method of mathematical planning of the experiment on the process of formation of CdS/L-Cys nanoparticles in potentially oxidizing conditions (without deaeration of precursor solutions) and the optical properties of colloidal solutions were investigated. obtained under conditions of pH = 7 and temperature of 220C. By statistical processing of the results, equations were obtained and diagrams of concentration dependences of the wavelength of the optical absorption edge of colloidal solutions of CdS semiconductor nanoparticles in the Сd2+ – L-Cys – S2- system were constructed.  
在这项研究中,使用数学规划实验的方法,研究了在潜在氧化条件(前体溶液不脱气)下,晶体形成离子Сd2+和S2-以及稳定剂L-Cys含量对CdS/L-Cys纳米粒子形成过程的叠加效应,以及胶体溶液的光学特性。通过对结果进行统计处理,得出了Сd2+ - L-Cys - S2-体系中 CdS 半导体纳米粒子胶体溶液光吸收边缘波长的浓度相关方程并绘制了图表。
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引用次数: 0
The effect of thermal modification of turbostratic carbon on its fractal structure 热改性透平碳对其分形结构的影响
Pub Date : 2024-02-09 DOI: 10.15330/pcss.25.1.51-56
V. Mandzyuk, R. Lisovskiy, Yu.O. Kulyk, B. Rachiy, R.V. Solomovskyi
Fractal structure of porous carbon materials (PCMs) obtained by thermal modification under different regimes was investigated using the method of low-temperature porometry. It was established that at modification temperatures of 300 and 600°C, materials with a developed microporous structure are formed, the surface fractal dimension of which is 2.6. At modification temperatures of 400 and 500°C, the value of the fractal dimension of the surface decreases to a value of 2.22, which indicates the formation of an almost smooth surface due to the intensive removal of carbon atoms from the near-surface layers of the material particles, a decrease in the number of micropores with their transition into mesopores, unification of small carbon clusters into larger ones and the formation of microparticles of non-porous carbon material.
利用低温测孔法研究了在不同条件下通过热改性获得的多孔碳材料(PCMs)的分形结构。结果表明,在改性温度为 300 和 600°C 时,形成的材料具有发达的微孔结构,其表面分形维数为 2.6。在改性温度为 400 和 500°C 时,表面分形维度值降至 2.22,这表明由于材料颗粒近表面层碳原子的大量清除,形成了几乎光滑的表面,微孔数量减少并过渡到中孔,小碳团聚成大碳团聚,形成了无孔碳材料微粒。
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引用次数: 0
Structural and morphological properties of CdSe1-xSx thin films obtained by the method of high-frequency magnetron sputtering 用高频磁控溅射法获得的 CdSe1-xSx 薄膜的结构和形态特性
Pub Date : 2024-02-08 DOI: 10.15330/pcss.25.1.40-44
A. I. Kashuba, I. Semkiv, B. Andriyevsky, H. Ilchuk, N.T. Pokladok
CdSe1-xSx (x= 0.3, 0.4 and 0.6) thin films were deposited on quartz and silicon substrates by the method of high-frequency magnetron sputtering. The chemical composition analysis and crystal structure refinement was examined with using X-ray fluorescence spectroscopy and X-ray diffraction data. CdSe1-xSx thin films crystallizes in hexagonal structure (structure type – ZnO, space group P63mc (No. 186)). The lattice parameters (a, c and V), crystallite size (D), strain (ε), dislocation density (δ) and the texture coefficient TC(hkl) was estimated from X-ray diffraction analysis. Units-cell parameters decrease with increasing S content in CdSe1-xSx thin film.
利用高频磁控溅射法在石英和硅基底上沉积了碲化镉 1-xSx(x= 0.3、0.4 和 0.6)薄膜。利用 X 射线荧光光谱和 X 射线衍射数据分析了化学成分和晶体结构。CdSe1-xSx 薄膜结晶为六方结构(结构类型 - ZnO,空间群 P63mc(编号 186))。通过 X 射线衍射分析估算了晶格参数(a、c 和 V)、晶粒尺寸(D)、应变(ε)、位错密度(δ)和纹理系数 TC(hkl)。单位晶胞参数随着 CdSe1-xSx 薄膜中 S 含量的增加而降低。
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引用次数: 0
Structural and morphological properties of CdSe1-xSx thin films obtained by the method of high-frequency magnetron sputtering 用高频磁控溅射法获得的 CdSe1-xSx 薄膜的结构和形态特性
Pub Date : 2024-02-08 DOI: 10.15330/pcss.25.1.40-44
A. I. Kashuba, I. Semkiv, B. Andriyevsky, H. Ilchuk, N.T. Pokladok
CdSe1-xSx (x= 0.3, 0.4 and 0.6) thin films were deposited on quartz and silicon substrates by the method of high-frequency magnetron sputtering. The chemical composition analysis and crystal structure refinement was examined with using X-ray fluorescence spectroscopy and X-ray diffraction data. CdSe1-xSx thin films crystallizes in hexagonal structure (structure type – ZnO, space group P63mc (No. 186)). The lattice parameters (a, c and V), crystallite size (D), strain (ε), dislocation density (δ) and the texture coefficient TC(hkl) was estimated from X-ray diffraction analysis. Units-cell parameters decrease with increasing S content in CdSe1-xSx thin film.
利用高频磁控溅射法在石英和硅基底上沉积了碲化镉 1-xSx(x= 0.3、0.4 和 0.6)薄膜。利用 X 射线荧光光谱和 X 射线衍射数据分析了化学成分和晶体结构。CdSe1-xSx 薄膜结晶为六方结构(结构类型 - ZnO,空间群 P63mc(编号 186))。通过 X 射线衍射分析估算了晶格参数(a、c 和 V)、晶粒尺寸(D)、应变(ε)、位错密度(δ)和纹理系数 TC(hkl)。单位晶胞参数随着 CdSe1-xSx 薄膜中 S 含量的增加而降低。
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引用次数: 0
Average decayed dynamics of one-step transformation process with randomly varying return transition rate 返回过渡率随机变化的一步转换过程的平均衰减动力学
Pub Date : 2024-02-05 DOI: 10.15330/pcss.25.1.35-39
O. Kapitanchuk, V. Teslenko
The problem of stochastic averaging of the decayed dynamics of the output state population of a one-step transformation process with constant deterministic forward transition rate and randomly varying return transition rate is solved in approximation where random variation is modeled as a dichotomous stochastic process. The form of the obtained solution represented as a product between bimodal sigmoid rise of average population and its unimodal exponential decay is shown to largely be dependent on the stochastic frequency and amplitude parameters. For example, at high stochastic frequency, the behavior of population is reduced to that of a decayed one-step deterministic system. However, for resonance stochastic amplitude at low stochastic frequency, such behavior coincides with that of three-exponential rise-decay kinetics typical rather of a three-step deterministic slowly decaying process. Thus, there is an equivalence between using a more complex deterministic kinetic model and a less complex stochastic kinetic model for describing the decayed dynamics of different irreversible systems.
在将随机变化建模为二分法随机过程的近似计算中,解决了具有恒定确定前向转换率和随机变化返回转换率的一步转换过程的输出状态种群衰减动态的随机平均问题。求解结果表明,平均人口数量的双峰 Sigmoid 上升与单峰指数衰减的乘积形式在很大程度上取决于随机频率和振幅参数。例如,在高随机频率下,种群的行为被简化为衰减的单步确定性系统。然而,对于低随机频率下的共振随机振幅,这种行为与典型的三指数上升-衰减动力学相吻合,而不是三步确定性缓慢衰减过程。因此,使用较复杂的确定性动力学模型和较不复杂的随机动力学模型来描述不同不可逆系统的衰减动力学是等价的。
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引用次数: 0
Average decayed dynamics of one-step transformation process with randomly varying return transition rate 返回过渡率随机变化的一步转换过程的平均衰减动力学
Pub Date : 2024-02-05 DOI: 10.15330/pcss.25.1.35-39
O. Kapitanchuk, V. Teslenko
The problem of stochastic averaging of the decayed dynamics of the output state population of a one-step transformation process with constant deterministic forward transition rate and randomly varying return transition rate is solved in approximation where random variation is modeled as a dichotomous stochastic process. The form of the obtained solution represented as a product between bimodal sigmoid rise of average population and its unimodal exponential decay is shown to largely be dependent on the stochastic frequency and amplitude parameters. For example, at high stochastic frequency, the behavior of population is reduced to that of a decayed one-step deterministic system. However, for resonance stochastic amplitude at low stochastic frequency, such behavior coincides with that of three-exponential rise-decay kinetics typical rather of a three-step deterministic slowly decaying process. Thus, there is an equivalence between using a more complex deterministic kinetic model and a less complex stochastic kinetic model for describing the decayed dynamics of different irreversible systems.
在将随机变化建模为二分法随机过程的近似计算中,解决了具有恒定确定前向转换率和随机变化返回转换率的一步转换过程的输出状态种群衰减动态的随机平均问题。求解结果表明,平均人口数量的双峰 Sigmoid 上升与单峰指数衰减的乘积形式在很大程度上取决于随机频率和振幅参数。例如,在高随机频率下,种群的行为被简化为衰减的单步确定性系统。然而,对于低随机频率下的共振随机振幅,这种行为与典型的三指数上升-衰减动力学相吻合,而不是三步确定性缓慢衰减过程。因此,使用较复杂的确定性动力学模型和较不复杂的随机动力学模型来描述不同不可逆系统的衰减动力学是等价的。
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引用次数: 0
Selective laser sintering of amorphous nanoparticles: Molecular dynamics simulations 无定形纳米颗粒的选择性激光烧结:分子动力学模拟
Pub Date : 2024-02-04 DOI: 10.15330/pcss.25.1.5-13
I. Shtablavyi, N. Popilovskyi, Yu. Nykyruy, S. Mudry
The paper investigates the process of liquid-phase sintering of amorphous iron-based nanoparticles by the method of molecular dynamics simulations. The classical molecular dynamics package LAMMPS was used for modeling. Visual analysis of the atomic configurations of nanoparticles during their rapid cooling revealed the self-purification effect of the particles. Partial pair correlation functions and coordination number distribution functions were used to analyze the atomic structure of nanoparticles after sintering. As a result of the analysis of the main structural parameters, which were obtained using the specified functions, differences in the atomic composition and structure of the volume and surface of nanoparticles were established.
本文通过分子动力学模拟的方法研究了无定形铁基纳米粒子的液相烧结过程。建模时使用了经典的分子动力学软件包 LAMMPS。通过对纳米粒子快速冷却过程中的原子构型进行直观分析,发现了纳米粒子的自净化效应。利用偏对相关函数和配位数分布函数分析了烧结后纳米粒子的原子结构。通过分析使用指定函数获得的主要结构参数,确定了纳米粒子体积和表面原子组成和结构的差异。
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引用次数: 0
Solid – phase equilibria and thermodynamic properties of the Sb-Te-S system Sb-Te-S 系统的固相平衡和热力学性质
Pub Date : 2024-02-04 DOI: 10.15330/pcss.25.1.26-34
F.R. Aliyev, E. Orujlu, L. F. Mashadiyeva, G. B. Dashdiyeva, D. Babanly
The powder X-ray diffraction (PXRD) analysis and the electromotive force (emf) measurements have been used to investigate the Sb–Te–S system in the Sb2S3-Sb2Te3-Te-S composition region at 300–450 K temperatures interval. Relative partial molar functions of antimony in alloys have been calculated and obtained data have been used to get self-consistent sets of the standard Gibbs free energy, standard enthalpy, and standard entropy of the Sb2S3 and Sb2Te2S compounds, as well as the Sb2Te2,4S0,6 and Sb2Te2,7S0,3 solid solutions. The data obtained for Sb2S3 have been compared to the ones available in the literature. Thermodynamic functions of the Sb2Te2S compound, as well as, the Sb2Te2,4S0,6 and Sb2Te2,7S0,3 solid solutions have been determined for the first time.
粉末 X 射线衍射(PXRD)分析和电动势(emf)测量用于研究 300-450 K 温度区间 Sb2S3-Sb2Te3-Te-S 组成区域的 Sb-Te-S 系统。计算了合金中锑的相对部分摩尔函数,并利用获得的数据得到了 Sb2S3 和 Sb2Te2S 化合物以及 Sb2Te2,4S0,6 和 Sb2Te2,7S0,3 固溶体的标准吉布斯自由能、标准焓和标准熵的自洽集合。获得的 Sb2S3 数据与文献中的数据进行了比较。首次确定了 Sb2Te2S 化合物以及 Sb2Te2,4S0,6 和 Sb2Te2,7S0,3 固溶体的热力学函数。
{"title":"Solid – phase equilibria and thermodynamic properties of the Sb-Te-S system","authors":"F.R. Aliyev, E. Orujlu, L. F. Mashadiyeva, G. B. Dashdiyeva, D. Babanly","doi":"10.15330/pcss.25.1.26-34","DOIUrl":"https://doi.org/10.15330/pcss.25.1.26-34","url":null,"abstract":"The powder X-ray diffraction (PXRD) analysis and the electromotive force (emf) measurements have been used to investigate the Sb–Te–S system in the Sb2S3-Sb2Te3-Te-S composition region at 300–450 K temperatures interval. Relative partial molar functions of antimony in alloys have been calculated and obtained data have been used to get self-consistent sets of the standard Gibbs free energy, standard enthalpy, and standard entropy of the Sb2S3 and Sb2Te2S compounds, as well as the Sb2Te2,4S0,6 and Sb2Te2,7S0,3 solid solutions. The data obtained for Sb2S3 have been compared to the ones available in the literature. Thermodynamic functions of the Sb2Te2S compound, as well as, the Sb2Te2,4S0,6 and Sb2Te2,7S0,3 solid solutions have been determined for the first time.","PeriodicalId":509433,"journal":{"name":"Physics and Chemistry of Solid State","volume":"25 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139807146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Selective laser sintering of amorphous nanoparticles: Molecular dynamics simulations 无定形纳米颗粒的选择性激光烧结:分子动力学模拟
Pub Date : 2024-02-04 DOI: 10.15330/pcss.25.1.5-13
I. Shtablavyi, N. Popilovskyi, Yu. Nykyruy, S. Mudry
The paper investigates the process of liquid-phase sintering of amorphous iron-based nanoparticles by the method of molecular dynamics simulations. The classical molecular dynamics package LAMMPS was used for modeling. Visual analysis of the atomic configurations of nanoparticles during their rapid cooling revealed the self-purification effect of the particles. Partial pair correlation functions and coordination number distribution functions were used to analyze the atomic structure of nanoparticles after sintering. As a result of the analysis of the main structural parameters, which were obtained using the specified functions, differences in the atomic composition and structure of the volume and surface of nanoparticles were established.
本文通过分子动力学模拟的方法研究了无定形铁基纳米粒子的液相烧结过程。建模时使用了经典的分子动力学软件包 LAMMPS。通过对纳米粒子快速冷却过程中的原子构型进行直观分析,发现了纳米粒子的自净化效应。利用偏对相关函数和配位数分布函数分析了烧结后纳米粒子的原子结构。通过分析使用指定函数获得的主要结构参数,确定了纳米粒子体积和表面原子组成和结构的差异。
{"title":"Selective laser sintering of amorphous nanoparticles: Molecular dynamics simulations","authors":"I. Shtablavyi, N. Popilovskyi, Yu. Nykyruy, S. Mudry","doi":"10.15330/pcss.25.1.5-13","DOIUrl":"https://doi.org/10.15330/pcss.25.1.5-13","url":null,"abstract":"The paper investigates the process of liquid-phase sintering of amorphous iron-based nanoparticles by the method of molecular dynamics simulations. The classical molecular dynamics package LAMMPS was used for modeling. Visual analysis of the atomic configurations of nanoparticles during their rapid cooling revealed the self-purification effect of the particles. Partial pair correlation functions and coordination number distribution functions were used to analyze the atomic structure of nanoparticles after sintering. As a result of the analysis of the main structural parameters, which were obtained using the specified functions, differences in the atomic composition and structure of the volume and surface of nanoparticles were established.","PeriodicalId":509433,"journal":{"name":"Physics and Chemistry of Solid State","volume":"29 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139866224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solid – phase equilibria and thermodynamic properties of the Sb-Te-S system Sb-Te-S 系统的固相平衡和热力学性质
Pub Date : 2024-02-04 DOI: 10.15330/pcss.25.1.26-34
F.R. Aliyev, E. Orujlu, L. F. Mashadiyeva, G. B. Dashdiyeva, D. Babanly
The powder X-ray diffraction (PXRD) analysis and the electromotive force (emf) measurements have been used to investigate the Sb–Te–S system in the Sb2S3-Sb2Te3-Te-S composition region at 300–450 K temperatures interval. Relative partial molar functions of antimony in alloys have been calculated and obtained data have been used to get self-consistent sets of the standard Gibbs free energy, standard enthalpy, and standard entropy of the Sb2S3 and Sb2Te2S compounds, as well as the Sb2Te2,4S0,6 and Sb2Te2,7S0,3 solid solutions. The data obtained for Sb2S3 have been compared to the ones available in the literature. Thermodynamic functions of the Sb2Te2S compound, as well as, the Sb2Te2,4S0,6 and Sb2Te2,7S0,3 solid solutions have been determined for the first time.
粉末 X 射线衍射(PXRD)分析和电动势(emf)测量用于研究 300-450 K 温度区间 Sb2S3-Sb2Te3-Te-S 组成区域的 Sb-Te-S 系统。计算了合金中锑的相对部分摩尔函数,并利用获得的数据得到了 Sb2S3 和 Sb2Te2S 化合物以及 Sb2Te2,4S0,6 和 Sb2Te2,7S0,3 固溶体的标准吉布斯自由能、标准焓和标准熵的自洽集合。获得的 Sb2S3 数据与文献中的数据进行了比较。首次确定了 Sb2Te2S 化合物以及 Sb2Te2,4S0,6 和 Sb2Te2,7S0,3 固溶体的热力学函数。
{"title":"Solid – phase equilibria and thermodynamic properties of the Sb-Te-S system","authors":"F.R. Aliyev, E. Orujlu, L. F. Mashadiyeva, G. B. Dashdiyeva, D. Babanly","doi":"10.15330/pcss.25.1.26-34","DOIUrl":"https://doi.org/10.15330/pcss.25.1.26-34","url":null,"abstract":"The powder X-ray diffraction (PXRD) analysis and the electromotive force (emf) measurements have been used to investigate the Sb–Te–S system in the Sb2S3-Sb2Te3-Te-S composition region at 300–450 K temperatures interval. Relative partial molar functions of antimony in alloys have been calculated and obtained data have been used to get self-consistent sets of the standard Gibbs free energy, standard enthalpy, and standard entropy of the Sb2S3 and Sb2Te2S compounds, as well as the Sb2Te2,4S0,6 and Sb2Te2,7S0,3 solid solutions. The data obtained for Sb2S3 have been compared to the ones available in the literature. Thermodynamic functions of the Sb2Te2S compound, as well as, the Sb2Te2,4S0,6 and Sb2Te2,7S0,3 solid solutions have been determined for the first time.","PeriodicalId":509433,"journal":{"name":"Physics and Chemistry of Solid State","volume":"46 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139866749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Physics and Chemistry of Solid State
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