Pub Date : 2023-10-06DOI: 10.1080/01411594.2023.2262705
Apsari Parvin, Malay Kumar Das
ABSTRACTA systematic study of a binary system composed of 4-n-pentyl 4′-cyanobiphenyl (5CB) and 4-n-pentyl phenyl 4-n′-hexyloxy benzoate (ME6O.5) mesogens showing an induced smectic A at different molar concentrations has been done. Heat capacity and optical birefringence measurements have been performed around the N-SmA phase transition region. The heat capacity peaks could be fitted well below the N-SmA transition by means of an extended Landau mean-field model. The first-order nature of the transition throughout the composition range can be inferred. This transition is rather close to the tricritical point when the nematic range is sufficiently increased. The latent heat decreases with the increase in the nematic range. For large nematic range, the latent heat drops to zero and the heat capacity peak associated with N-SmA phase transition disappear, contrary to previously reported most of the usual N-SmA phase transition. Precision birefringence measurements also agree well with the heat capacity data.KEYWORDS: Phase transitionheat capacitybirefringencelatent heatinduced smectic A phase Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingMKD acknowledges the financial support received from the University Assistance for Research Project [Project No: 2321/R-2022] and AP is grateful to the University Grants Commission [UGC/NFOBC/201920-19J6148547, JRF] for awarding fellowship.
{"title":"On the critical behaviour of the N-SmA phase transition in an induced system: an exploration from high-resolution calorimetric and optical studies","authors":"Apsari Parvin, Malay Kumar Das","doi":"10.1080/01411594.2023.2262705","DOIUrl":"https://doi.org/10.1080/01411594.2023.2262705","url":null,"abstract":"ABSTRACTA systematic study of a binary system composed of 4-n-pentyl 4′-cyanobiphenyl (5CB) and 4-n-pentyl phenyl 4-n′-hexyloxy benzoate (ME6O.5) mesogens showing an induced smectic A at different molar concentrations has been done. Heat capacity and optical birefringence measurements have been performed around the N-SmA phase transition region. The heat capacity peaks could be fitted well below the N-SmA transition by means of an extended Landau mean-field model. The first-order nature of the transition throughout the composition range can be inferred. This transition is rather close to the tricritical point when the nematic range is sufficiently increased. The latent heat decreases with the increase in the nematic range. For large nematic range, the latent heat drops to zero and the heat capacity peak associated with N-SmA phase transition disappear, contrary to previously reported most of the usual N-SmA phase transition. Precision birefringence measurements also agree well with the heat capacity data.KEYWORDS: Phase transitionheat capacitybirefringencelatent heatinduced smectic A phase Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationFundingMKD acknowledges the financial support received from the University Assistance for Research Project [Project No: 2321/R-2022] and AP is grateful to the University Grants Commission [UGC/NFOBC/201920-19J6148547, JRF] for awarding fellowship.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135351946","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-06DOI: 10.1080/01411594.2023.2262701
Abhilasha Singh, Ayushi Rastogi, Shri Singh
ABSTRACTUsing a thermodynamic model developed by us to study the structural and electro-optical properties of SmCA∗ phase, we investigate the temperature dependence of helical pitch, tilt angle and spontaneous polarization of a homologous series of fluorinated biphenyl benzoate esters (3FnHBM6, n = 2, 5, 7) and one of the series W-316-3 obtained from the mixture of two chiral liquid crystalline compounds 6F2OBi and 3F6HBM6. The free-energy density of the system exhibiting SmCA∗ phase is written as an expansion series in terms of all the relevant degrees of freedom: Qij, ψ, P, q and the resulting coupling terms between these order parameters. The values of Landau coefficients are determined from the experimental data of antiferroelectric mesogens 3FnHBM6 (n = 2, 5, 7) and W-316-3 in the SmCA∗ phase. Using these coefficients, the electro-optical and structural properties have been studied. We have found good agreements between the theoretical and experimental results.KEYWORDS: Free energy density expansionantiferroelectric liquid crystalspontaneous polarizationsorder parametersstructural propertieselectro-optical properties AcknowledgementI would like to acknowledge JSSMVP Mysore for their kind support and encouragement.Disclosure statementNo potential conflict of interest was reported by the author(s).
{"title":"Thermodynamic model to study the structural and electro-optical properties of chiral antiferroelectric smectic C phase exhibited by mesogenic homologous series 3FnHBM6(s) and W-316 mixture","authors":"Abhilasha Singh, Ayushi Rastogi, Shri Singh","doi":"10.1080/01411594.2023.2262701","DOIUrl":"https://doi.org/10.1080/01411594.2023.2262701","url":null,"abstract":"ABSTRACTUsing a thermodynamic model developed by us to study the structural and electro-optical properties of SmCA∗ phase, we investigate the temperature dependence of helical pitch, tilt angle and spontaneous polarization of a homologous series of fluorinated biphenyl benzoate esters (3FnHBM6, n = 2, 5, 7) and one of the series W-316-3 obtained from the mixture of two chiral liquid crystalline compounds 6F2OBi and 3F6HBM6. The free-energy density of the system exhibiting SmCA∗ phase is written as an expansion series in terms of all the relevant degrees of freedom: Qij, ψ, P, q and the resulting coupling terms between these order parameters. The values of Landau coefficients are determined from the experimental data of antiferroelectric mesogens 3FnHBM6 (n = 2, 5, 7) and W-316-3 in the SmCA∗ phase. Using these coefficients, the electro-optical and structural properties have been studied. We have found good agreements between the theoretical and experimental results.KEYWORDS: Free energy density expansionantiferroelectric liquid crystalspontaneous polarizationsorder parametersstructural propertieselectro-optical properties AcknowledgementI would like to acknowledge JSSMVP Mysore for their kind support and encouragement.Disclosure statementNo potential conflict of interest was reported by the author(s).","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"214 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135350788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-10-04DOI: 10.1080/01411594.2023.2262704
Anushikha Yadav, Sunanda Sharda
ABSTRACTChalcogenide glasses are unquestionably one of the most popular materials known for their phase change property. Phase change materials (PCM) have a key role in the field of photonics, memory devices, imaging, etc. With an aim to study the worth of ternary Sb10Se90-xGex (x = 0, 19, 21, 23, 25, 27) and quaternary Sb10Se65Ge25-yIny (y = 0, 3, 6, 9, 12, 15) chalcogenide systems as PCM, the composition variation and effect of dopants on the thermal properties of two systems has been probed. The thermal stability of two glass systems has been investigated using criteria such as the S parameter, fragility index, and rate constants at glass transition and crystallization temperatures. The mechanism of the phase change phenomenon occurring in the glasses has been studied using the Avrami index.KEYWORDS: Chalcogenidesthermal stabilityAvrami exponentcrystallization Disclosure statementNo potential conflict of interest was reported by the author(s).Data availability statementThis manuscript has no associated data, or the data will not be deposited. [Authors’ comment: The related data and results obtained have been shown/reported in the figures and tables.]
{"title":"A study of the crystallization kinetics of <i>Sb-Se-Ge</i> and <i>Sb-Se-Ge-In</i> chalcogenide glasses for applications as phase change materials","authors":"Anushikha Yadav, Sunanda Sharda","doi":"10.1080/01411594.2023.2262704","DOIUrl":"https://doi.org/10.1080/01411594.2023.2262704","url":null,"abstract":"ABSTRACTChalcogenide glasses are unquestionably one of the most popular materials known for their phase change property. Phase change materials (PCM) have a key role in the field of photonics, memory devices, imaging, etc. With an aim to study the worth of ternary Sb10Se90-xGex (x = 0, 19, 21, 23, 25, 27) and quaternary Sb10Se65Ge25-yIny (y = 0, 3, 6, 9, 12, 15) chalcogenide systems as PCM, the composition variation and effect of dopants on the thermal properties of two systems has been probed. The thermal stability of two glass systems has been investigated using criteria such as the S parameter, fragility index, and rate constants at glass transition and crystallization temperatures. The mechanism of the phase change phenomenon occurring in the glasses has been studied using the Avrami index.KEYWORDS: Chalcogenidesthermal stabilityAvrami exponentcrystallization Disclosure statementNo potential conflict of interest was reported by the author(s).Data availability statementThis manuscript has no associated data, or the data will not be deposited. [Authors’ comment: The related data and results obtained have been shown/reported in the figures and tables.]","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"48 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135592727","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-09-27DOI: 10.1080/01411594.2023.2262703
Prabir Kumar Mukherjee
ABSTRACTA model combining with Flory-Huggins theory of isotropic mixing and Landau theory is developed to describe the effect of graphene nanoparticles on the isotropic to nematic phase transition. The temperature and concentration of graphene nanoparticles dependence on the orientational order parameter, transition temperature and thermodynamic quantities near the isotropic to nematic phase transition are discussed. The orientational order parameter, transition temperature and enthalpy near the isotropic to nematic phase transition increase with the increase of graphene nanoparticles.KEYWORDS: Nematic liquid crystalgraphenenanoparticlesphase transition Disclosure statementNo potential conflict of interest was reported by the author(s).
{"title":"Effect of graphene nanoparticles on the isotropic to nematic phase transition","authors":"Prabir Kumar Mukherjee","doi":"10.1080/01411594.2023.2262703","DOIUrl":"https://doi.org/10.1080/01411594.2023.2262703","url":null,"abstract":"ABSTRACTA model combining with Flory-Huggins theory of isotropic mixing and Landau theory is developed to describe the effect of graphene nanoparticles on the isotropic to nematic phase transition. The temperature and concentration of graphene nanoparticles dependence on the orientational order parameter, transition temperature and thermodynamic quantities near the isotropic to nematic phase transition are discussed. The orientational order parameter, transition temperature and enthalpy near the isotropic to nematic phase transition increase with the increase of graphene nanoparticles.KEYWORDS: Nematic liquid crystalgraphenenanoparticlesphase transition Disclosure statementNo potential conflict of interest was reported by the author(s).","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"46 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135536905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-09-05DOI: 10.1080/01411594.2023.2253957
Zineb Gargar, A. Tachafine, D. Fasquelle, A. Zegzouti, M. Elaatmani, Mohamed Daoud
{"title":"Grain size effects on dielectric properties of yttrium doped BaTiO3 ceramics","authors":"Zineb Gargar, A. Tachafine, D. Fasquelle, A. Zegzouti, M. Elaatmani, Mohamed Daoud","doi":"10.1080/01411594.2023.2253957","DOIUrl":"https://doi.org/10.1080/01411594.2023.2253957","url":null,"abstract":"","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44115987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-25DOI: 10.1080/01411594.2023.2249197
K. Nagarajan, N. Surumbarkuzhali, K. Parimala
ABSTRACT In the present work, we report the experimental and computational investigations of 3-Hydroxy-4-nitrobenzaldehyde (3H4NB) were examined. Comparing observed and simulated vibrational spectra allowed for the identification of characteristic frequencies and the attribution of band names. For the density functional theory (DFT) calculations, the LSDA functional with 6-311 + G(d,p) degree of approximation was used. Furthermore, the same level of theory was used to calculate molecular orbitals such as natural bond orbitals (NBOs) and the HOMO–LUMO energy gap. The condensed Fukui function and the molecular electrostatic potential (MEP) surface were used to determine the relative electrophilicity and nucleophilicity of the current molecule. Intermolecular hydrogen bonding interactions are studied using Hirshfeld surface analysis and fingerprint plots. Molecular docking analysis was used to investigate the compound's biological activities. The hydrogen bond active binding residues and binding energy of a chosen chemical with carcinogenic activity targets were examined.
{"title":"Vibrational dynamics, Hirshfeld surface and molecular docking studies by quantum computational analysis of 3-Hydroxy-4-nitrobenzaldehyde","authors":"K. Nagarajan, N. Surumbarkuzhali, K. Parimala","doi":"10.1080/01411594.2023.2249197","DOIUrl":"https://doi.org/10.1080/01411594.2023.2249197","url":null,"abstract":"ABSTRACT In the present work, we report the experimental and computational investigations of 3-Hydroxy-4-nitrobenzaldehyde (3H4NB) were examined. Comparing observed and simulated vibrational spectra allowed for the identification of characteristic frequencies and the attribution of band names. For the density functional theory (DFT) calculations, the LSDA functional with 6-311 + G(d,p) degree of approximation was used. Furthermore, the same level of theory was used to calculate molecular orbitals such as natural bond orbitals (NBOs) and the HOMO–LUMO energy gap. The condensed Fukui function and the molecular electrostatic potential (MEP) surface were used to determine the relative electrophilicity and nucleophilicity of the current molecule. Intermolecular hydrogen bonding interactions are studied using Hirshfeld surface analysis and fingerprint plots. Molecular docking analysis was used to investigate the compound's biological activities. The hydrogen bond active binding residues and binding energy of a chosen chemical with carcinogenic activity targets were examined.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"96 1","pages":"687 - 709"},"PeriodicalIF":1.6,"publicationDate":"2023-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47135588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-23DOI: 10.1080/01411594.2023.2247130
I. Yakovkin, Mykhailo Ledney
{"title":"Electrically induced orientational instability of the director in a homeotropic nematic liquid crystal cell and its effect on surface plasmon oscillations","authors":"I. Yakovkin, Mykhailo Ledney","doi":"10.1080/01411594.2023.2247130","DOIUrl":"https://doi.org/10.1080/01411594.2023.2247130","url":null,"abstract":"","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2023-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46767375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-15DOI: 10.1080/01411594.2023.2244640
A. Tachafine, Hicham Ait Laasri, J. Carru, D. Fasquelle
{"title":"High-temperature impedance properties of Sr1-xCaxTiO3 ceramics for lead-free capacitor applications","authors":"A. Tachafine, Hicham Ait Laasri, J. Carru, D. Fasquelle","doi":"10.1080/01411594.2023.2244640","DOIUrl":"https://doi.org/10.1080/01411594.2023.2244640","url":null,"abstract":"","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"1 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2023-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41855298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-08-09DOI: 10.1080/01411594.2023.2244113
Diksha Thakur, V. S. Rangra
ABSTRACT InSe is a III-VI semiconducting layered compound having potential applications in memories, solar cells, infrared sensors, switching devices and optical fibers. In this article various physical parameters of In0.1Se0.9-x Sb x (x = 0, 0.04, 0.08, 0.12) chalcogenide alloy depending on the varying composition of Se and Sb are discussed. The physical parameters include the theoretical calculations of average coordination number, number of constraints, floppy modes, number of lone pair electrons, deviation of stoichiometry, average heat of atomization, mean bond energy, density, molar volume, compactness, cohesive energy, electronegativity, energy band gap, conduction and valance band energy and glass transition temperature. The number of lone pair electrons and floppy modes is found to decrease, whereas the average coordination number, mean bond energy, average heat of atomization and density are found to increase with increasing Sb content. The theoretical values of glass transition temperature are calculated using the Tichy-Ticha and Lankhorst approach.
InSe是一种III-VI半导体层状化合物，在存储器、太阳能电池、红外传感器、开关器件和光纤等领域具有潜在的应用前景。本文讨论了In0.1Se0.9-x Sb x (x = 0,0.04, 0.08, 0.12)硫系合金的各种物理参数随Se和Sb组成的变化而变化。物理参数包括平均配位数、约束数、软盘模式、孤对电子数、化学计量偏差、平均雾化热、平均键能、密度、摩尔体积、紧致度、内聚能、电负性、能带隙、导价能带能和玻璃化转变温度的理论计算。随着Sb含量的增加，原子的平均配位数、平均键能、平均原子化热和密度增加，而孤对电子和软盘电子的数量减少。利用Tichy-Ticha法和Lankhorst法计算了玻璃化转变温度的理论值。
{"title":"Compositional dependence of physical parameters of Sb-doped InSe nanochalcogenide alloys","authors":"Diksha Thakur, V. S. Rangra","doi":"10.1080/01411594.2023.2244113","DOIUrl":"https://doi.org/10.1080/01411594.2023.2244113","url":null,"abstract":"ABSTRACT InSe is a III-VI semiconducting layered compound having potential applications in memories, solar cells, infrared sensors, switching devices and optical fibers. In this article various physical parameters of In0.1Se0.9-x Sb x (x = 0, 0.04, 0.08, 0.12) chalcogenide alloy depending on the varying composition of Se and Sb are discussed. The physical parameters include the theoretical calculations of average coordination number, number of constraints, floppy modes, number of lone pair electrons, deviation of stoichiometry, average heat of atomization, mean bond energy, density, molar volume, compactness, cohesive energy, electronegativity, energy band gap, conduction and valance band energy and glass transition temperature. The number of lone pair electrons and floppy modes is found to decrease, whereas the average coordination number, mean bond energy, average heat of atomization and density are found to increase with increasing Sb content. The theoretical values of glass transition temperature are calculated using the Tichy-Ticha and Lankhorst approach.","PeriodicalId":19881,"journal":{"name":"Phase Transitions","volume":"96 1","pages":"637 - 656"},"PeriodicalIF":1.6,"publicationDate":"2023-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42289525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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