Vlad Sagalovych, Alex Sagalovych, V. Popov, Stanislav Dudnik, A.V. Kononykhin
Ukrainian abstract: Нові вимоги до експлуатаційних систем літальних апаратів, поряд із постійно зростаючим тиском на зменшення споживання палива, забруднюючих речовин та викидів шуму, суттєво сприяють пошуку нових та більш чистих технологій, паливні елементи яких демонструють великий потенціал. В роботі показано досягнутий рівень розробок тонкоплівкових композиційних матеріалів з використанням іонно-плазмових і плазмохімічних методів на АТ «ФЕД», що створює передумови зміни властивостей по відношенню до традиційних матеріалів на 2…3 і більше порядків, зниження робочої температури до 400…600oС. Це дає змогу розробляти принципово нові конструкції тонкоплівкових паливних елементів (товщиною в 10–20 разів менше, ніж трубчастий варіант) і серійноздатні технології їх виготовлення в наступних напрямках: нанесення тонкоплівкових композицій на розроблену конструкцію з урахуванням технологічних обмежень для різних методів осадження; отримання композиційних матеріалів, що складаються з шарів: газощільного електроліту і електродних шарів з тонкоплівковими струмознімальними контактами; забезпечення поділу газових сумішей керамічним шаром електроліту при товщині < 50…20 мкм; мінімізація товщини плівкового електроліту та інших функціональних шарів паливної комірки; підвищення міцності зчеплення шарів і корозійної стійкості струмознімальних контактів і електродних шарів в робочих середовищах для забезпечення працездатності конструкції протягом всього процесу експлуатації. Ключові слова: тонкоплівковий паливний елемент, іонно-плазмові методи, літак, електрична енергія English abstract: New demands on aircraft operating systems, along with ever-increasing demands for reduced fuel consumption, pollutant emissions and noise, are driving the search for new cleaner technologies in which fuel cells show great potential. The work demonstrates the achieved level of development of thin-film composite materials using ion-plasma and plasma-chemical methods at JSC FED, which allows creating the prerequisites for changing properties in relation to traditional materials by 2…3 and more orders of magnitude, reducing the operating temperature to 400...600 °C. This makes it possible to develop fundamentally new designs of thin-film fuel cells (10-20 times less thick than the tubular version) and serial technologies for their manufacture in the following directions: application of thin-film compositions to the developed structure, taking into account technological limitations for different deposition methods; obtaining composite materials, which consist of layers: gas-tight electrolyte and electrode layers with thin-film current-collecting contacts; ensuring the separation of gas mixtures with a ceramic electrolyte layer with a thickness of < 50...20 microns; minimizing the thickness of the electrolyte film and other functional layers of the fuel cell; increasing the adhesion strength of layers and corrosion resistance of current-collecting contacts and electrode layers in work
{"title":"Застосування іонно-плазмових методів для отримання тонкоплівкових паливних елементів (Application of Ion-Plasma Methods To Obtain Thin-Film Fuel Cells)","authors":"Vlad Sagalovych, Alex Sagalovych, V. Popov, Stanislav Dudnik, A.V. Kononykhin","doi":"10.2139/ssrn.3821090","DOIUrl":"https://doi.org/10.2139/ssrn.3821090","url":null,"abstract":"Ukrainian abstract: Нові вимоги до експлуатаційних систем літальних апаратів, поряд із постійно зростаючим тиском на зменшення споживання палива, забруднюючих речовин та викидів шуму, суттєво сприяють пошуку нових та більш чистих технологій, паливні елементи яких демонструють великий потенціал. В роботі показано досягнутий рівень розробок тонкоплівкових композиційних матеріалів з використанням іонно-плазмових і плазмохімічних методів на АТ «ФЕД», що створює передумови зміни властивостей по відношенню до традиційних матеріалів на 2…3 і більше порядків, зниження робочої температури до 400…600oС. Це дає змогу розробляти принципово нові конструкції тонкоплівкових паливних елементів (товщиною в 10–20 разів менше, ніж трубчастий варіант) і серійноздатні технології їх виготовлення в наступних напрямках: нанесення тонкоплівкових композицій на розроблену конструкцію з урахуванням технологічних обмежень для різних методів осадження; отримання композиційних матеріалів, що складаються з шарів: газощільного електроліту і електродних шарів з тонкоплівковими струмознімальними контактами; забезпечення поділу газових сумішей керамічним шаром електроліту при товщині < 50…20 мкм; мінімізація товщини плівкового електроліту та інших функціональних шарів паливної комірки; підвищення міцності зчеплення шарів і корозійної стійкості струмознімальних контактів і електродних шарів в робочих середовищах для забезпечення працездатності конструкції протягом всього процесу експлуатації. Ключові слова: тонкоплівковий паливний елемент, іонно-плазмові методи, літак, електрична енергія \u0000 \u0000English abstract: New demands on aircraft operating systems, along with ever-increasing demands for reduced fuel consumption, pollutant emissions and noise, are driving the search for new cleaner technologies in which fuel cells show great potential. The work demonstrates the achieved level of development of thin-film composite materials using ion-plasma and plasma-chemical methods at JSC FED, which allows creating the prerequisites for changing properties in relation to traditional materials by 2…3 and more orders of magnitude, reducing the operating temperature to 400...600 °C. This makes it possible to develop fundamentally new designs of thin-film fuel cells (10-20 times less thick than the tubular version) and serial technologies for their manufacture in the following directions: application of thin-film compositions to the developed structure, taking into account technological limitations for different deposition methods; obtaining composite materials, which consist of layers: gas-tight electrolyte and electrode layers with thin-film current-collecting contacts; ensuring the separation of gas mixtures with a ceramic electrolyte layer with a thickness of < 50...20 microns; minimizing the thickness of the electrolyte film and other functional layers of the fuel cell; increasing the adhesion strength of layers and corrosion resistance of current-collecting contacts and electrode layers in work","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"51 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88493522","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}
A. Sagalovych, S. Dudnik, V. Sagalovych, Artem Dzuiba, V. Popov
The surface morphology and phase composition of the coatings obtained by magnetron sputtering of Cu-MoS2 composite targets have been studied by X-ray diffraction, scanning electron microscopy and X-ray spectral microanalysis. X-ray diffraction studies of coatings show presence of two crystalline phases, namely Cu with face-centered cubic lattice and CuMo6S8 with a rhombohedral lattice. Studies of the surface morphology in Cu-CuMo6S8 coatings revealed two types of structures. One of the structures is realized in the form of globular formations, while the second is similar to the structure that had single-component Cu coating. X-ray spectral microanalysis showed that globular formations have higher Mo and S contents in comparison with other type of surface structure. The ratio between these elements is close to that in CuMo6S8. However, the Cu content is many times higher than the calculated amount for this compound. This suggests that globular formations are heterostructural where only one of the phases is CuMo6S8. Other possible phases in globular formations should be based on copper. The total area of globular formations in the coating increases with an increase in the proportion of MoS2 in the composition of the Cu-MoS2 sputtered composite target and strongly depends on the substrate potential.
{"title":"The effect of obtaining conditions on the structure and composition of Cu-MoS2 coatings upon magnetron sputtering of composite targets","authors":"A. Sagalovych, S. Dudnik, V. Sagalovych, Artem Dzuiba, V. Popov","doi":"10.2139/ssrn.3821056","DOIUrl":"https://doi.org/10.2139/ssrn.3821056","url":null,"abstract":"The surface morphology and phase composition of the coatings obtained by magnetron sputtering of Cu-MoS2 composite targets have been studied by X-ray diffraction, scanning electron microscopy and X-ray spectral microanalysis. X-ray diffraction studies of coatings show presence of two crystalline phases, namely Cu with face-centered cubic lattice and CuMo6S8 with a rhombohedral lattice. Studies of the surface morphology in Cu-CuMo6S8 coatings revealed two types of structures. One of the structures is realized in the form of globular formations, while the second is similar to the structure that had single-component Cu coating. X-ray spectral microanalysis showed that globular formations have higher Mo and S contents in comparison with other type of surface structure. The ratio between these elements is close to that in CuMo6S8. However, the Cu content is many times higher than the calculated amount for this compound. This suggests that globular formations are heterostructural where only one of the phases is CuMo6S8. Other possible phases in globular formations should be based on copper. The total area of globular formations in the coating increases with an increase in the proportion of MoS2 in the composition of the Cu-MoS2 sputtered composite target and strongly depends on the substrate potential.","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"110 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80325181","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}
Pub Date : 2021-04-05DOI: 10.20998/2074-272X.2021.2.06
A. Shavelkin, J. Gerlici, I. Shvedchykova, K. Kravchenko, H. Kruhliak
Purpose. Improving the principles of management of photovoltaic system with storage battery and with autonomous functioning during daylight hours for a local object, connected to the grid with multi-zone payment when excluding the generation of energy into the grid. Methodology. Modeling and analysis of energy processes in the photovoltaic system was performed using the Matlab software package. The simulation model of energy processes is based on calculated expressions taking into account the characteristics of the battery. Operability of the proposed solutions are confirmed on an experimental setup based on a standard hybrid inverter. Results. It’s shown, that due to the battery energy during the most loaded peak hours and part of the daytime the system operates autonomously and does not depend on possible violations of the quality of electricity in the grid. Scenarios of the recommended load schedule are proposed in accordance with the ratio of the predicted value of the daily energy generation of the photovoltaic battery to its possible maximum value. A simulation model of energy processes in the system with the correction of the recommended load value was developed. Originality. A method of the recommended load calculation with current correction for the actual generation and degree of battery charge is proposed, which allows taking into account differences the actual generation of the photovoltaic battery from its predicted value and the actual load from the recommended one. Practical value. The obtained solutions are the basis for the design of new and modernization of existing photovoltaic systems of local objects using software and hardware complexes for power consumption management.
{"title":"Management of Power Consumption in a Photovoltaic System with a Storage Battery Connected to the Network with Multi-Zone Electricity Pricing to Supply the Local Facility Own Needs","authors":"A. Shavelkin, J. Gerlici, I. Shvedchykova, K. Kravchenko, H. Kruhliak","doi":"10.20998/2074-272X.2021.2.06","DOIUrl":"https://doi.org/10.20998/2074-272X.2021.2.06","url":null,"abstract":"Purpose. Improving the principles of management of photovoltaic system with storage battery and with autonomous functioning during daylight hours for a local object, connected to the grid with multi-zone payment when excluding the generation of energy into the grid. Methodology. Modeling and analysis of energy processes in the photovoltaic system was performed using the Matlab software package. The simulation model of energy processes is based on calculated expressions taking into account the characteristics of the battery. Operability of the proposed solutions are confirmed on an experimental setup based on a standard hybrid inverter. Results. It’s shown, that due to the battery energy during the most loaded peak hours and part of the daytime the system operates autonomously and does not depend on possible violations of the quality of electricity in the grid. Scenarios of the recommended load schedule are proposed in accordance with the ratio of the predicted value of the daily energy generation of the photovoltaic battery to its possible maximum value. A simulation model of energy processes in the system with the correction of the recommended load value was developed. Originality. A method of the recommended load calculation with current correction for the actual generation and degree of battery charge is proposed, which allows taking into account differences the actual generation of the photovoltaic battery from its predicted value and the actual load from the recommended one. Practical value. The obtained solutions are the basis for the design of new and modernization of existing photovoltaic systems of local objects using software and hardware complexes for power consumption management.","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"66 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88783251","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}
The prototype model namely ‘MAGNETIC REPULSION ENGINE’ is the engine works on the repulsion principle of magnets. This engine is similar in construction as that of typical IC engine. it can be used to perform various tasks and functions that involve application of force or displacement of objects. This method provides an environmental friendly, very high efficiency engine that can complement or replace any engines that use fossil fuel, bio-fuel, solar power, wind power, hydro power, electricity, storage energy, or other energy sources. It consists of one magnet fixed at the top of the piston; the magnet is free to reciprocate along with the piston. The second magnet is fixed at the cylinder head. Both the magnets are facing each other with like poles .These engine does not require any input source and works on the magnetic force of its own ,thus it is eco-friendly and can be used in running automobiles ,industrial application, power generation, etc. The engine can be best alternative for any type of fuel consumption engines.
{"title":"Magnetic Piston Cylinder","authors":"Chandrashekhar singh Mourya","doi":"10.2139/ssrn.3819222","DOIUrl":"https://doi.org/10.2139/ssrn.3819222","url":null,"abstract":"The prototype model namely ‘MAGNETIC REPULSION ENGINE’ is the engine works on the repulsion<br>principle of magnets. This engine is similar in construction as that of typical IC engine. it can be used to perform various<br>tasks and functions that involve application of force or displacement of objects. This method provides an environmental<br>friendly, very high efficiency engine that can complement or replace any engines that use fossil fuel, bio-fuel, solar power,<br>wind power, hydro power, electricity, storage energy, or other energy sources. It consists of one magnet fixed at the top<br>of the piston; the magnet is free to reciprocate along with the piston. The second magnet is fixed at the cylinder head. Both<br>the magnets are facing each other with like poles .These engine does not require any input source and works on the<br>magnetic force of its own ,thus it is eco-friendly and can be used in running automobiles ,industrial application, power<br>generation, etc. The engine can be best alternative for any type of fuel consumption engines.<br><br>","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"91 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74837711","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}
Qian Chen, Jing Zhang, Zhongmin Liu, Yang Wang, Yusuke Ootani, Jingxiang Xu, N. Ozawa, M. Kubo
The atomic-scale yielding mechanisms of body center cubic (BCC) iron in supercritical water have been an elusive problem that requires understanding the roles of chemical reactions with supercritical water in the mechanical behavior of iron. This work shows the combined effect of the supercritical water and tensile direction on the yielding mechanism of BCC iron using reactive molecular dynamics simulations. Our simulation results show that tensile strain along the [110] direction of BCC iron may potentially exhibit much higher tensile strength and lower sensitivity to the environment compared with other directions. This is because yielding of iron along the [110] direction originates from the homogenous generation of HCP precursors inside the iron bulk rather than at the surface, which limits the effects of surficial chemical reactions with supercritical water on the yielding behavior. This work is expected to contribute to the theoretical design of high-strength alloys in supercritical water.
{"title":"Heterogeneous Yielding Mechanisms of Body Center Cubic Iron for High Resistance to Chemical Reaction-Induced Deterioration in Supercritical Water Environments: A Reactive Molecular Dynamics Study","authors":"Qian Chen, Jing Zhang, Zhongmin Liu, Yang Wang, Yusuke Ootani, Jingxiang Xu, N. Ozawa, M. Kubo","doi":"10.2139/ssrn.3813386","DOIUrl":"https://doi.org/10.2139/ssrn.3813386","url":null,"abstract":"The atomic-scale yielding mechanisms of body center cubic (BCC) iron in supercritical water have been an elusive problem that requires understanding the roles of chemical reactions with supercritical water in the mechanical behavior of iron. This work shows the combined effect of the supercritical water and tensile direction on the yielding mechanism of BCC iron using reactive molecular dynamics simulations. Our simulation results show that tensile strain along the [110] direction of BCC iron may potentially exhibit much higher tensile strength and lower sensitivity to the environment compared with other directions. This is because yielding of iron along the [110] direction originates from the homogenous generation of HCP precursors inside the iron bulk rather than at the surface, which limits the effects of surficial chemical reactions with supercritical water on the yielding behavior. This work is expected to contribute to the theoretical design of high-strength alloys in supercritical water.","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85168279","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}
J. Mueller, Xiaohua Hu, Xiang Sun, Yan-guang Ren, Jin-Kyung Choi, Carol E. Barker, J. Speer, D. Matlock, E. Moor
Abstract In the present study, in situ high-energy X-ray diffraction (HEXRD), dilatometry, and metallography were conducted for the purpose of understanding microstructure evolution during intercritical annealing of a Fe-0.19C-4.39Mn steel from a martensitic initial condition. Three different simulations for austenite growth and solute partitioning during isothermal holding were conducted using the DICTRA™ module of Thermo-Calc®. The microstructures after intercritical annealing exhibit film-like retained austenite; however, in situ HEXRD indicates that retained austenite in the initial martensitic microstructure had decomposed upon heating to the isothermal holding temperature, suggesting that film-like austenite may be generated during intercritical annealing via nucleation and growth of new austenite and without necessarily preserving initial retained austenite films in the martensitic microstructure. Metallography and in situ HEXRD also indicate that cementite had formed upon heating but did not readily dissolve during an 1800 s isothermal hold although considerable growth of austenite had occurred during the isothermal hold, suggesting that austenite nucleation and initial growth during intercritical annealing does not solely occur due to carbon partitioning. A simulation incorporating cementite suggests that the increase in austenite fraction during intercritical annealing initially occurs in association with Mn partitioning followed by austenite growth induced by gradual cementite dissolution.
{"title":"Austenite Formation and Cementite Dissolution During Intercritical Annealing of a Medium-Manganese Steel from a Martensitic Condition","authors":"J. Mueller, Xiaohua Hu, Xiang Sun, Yan-guang Ren, Jin-Kyung Choi, Carol E. Barker, J. Speer, D. Matlock, E. Moor","doi":"10.2139/ssrn.3805221","DOIUrl":"https://doi.org/10.2139/ssrn.3805221","url":null,"abstract":"Abstract In the present study, in situ high-energy X-ray diffraction (HEXRD), dilatometry, and metallography were conducted for the purpose of understanding microstructure evolution during intercritical annealing of a Fe-0.19C-4.39Mn steel from a martensitic initial condition. Three different simulations for austenite growth and solute partitioning during isothermal holding were conducted using the DICTRA™ module of Thermo-Calc®. The microstructures after intercritical annealing exhibit film-like retained austenite; however, in situ HEXRD indicates that retained austenite in the initial martensitic microstructure had decomposed upon heating to the isothermal holding temperature, suggesting that film-like austenite may be generated during intercritical annealing via nucleation and growth of new austenite and without necessarily preserving initial retained austenite films in the martensitic microstructure. Metallography and in situ HEXRD also indicate that cementite had formed upon heating but did not readily dissolve during an 1800 s isothermal hold although considerable growth of austenite had occurred during the isothermal hold, suggesting that austenite nucleation and initial growth during intercritical annealing does not solely occur due to carbon partitioning. A simulation incorporating cementite suggests that the increase in austenite fraction during intercritical annealing initially occurs in association with Mn partitioning followed by austenite growth induced by gradual cementite dissolution.","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"63 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73679441","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}
Emma Stepinac, N. Landrein, Daria Skwarzyńska, P. Wójcik, J. Lesigang, Ivan Lučić, Cynthia Y. He, M. Bonhivers, D. Robinson, G. Dong
Extended synaptotagmins (E-Syts) are a group of evolutionarily conserved proteins localizing at membrane contact sites between the endoplasmic reticulum (ER) and the plasma membrane, where they mediate inter-membrane lipid transfer and control plasma membrane lipid homeostasis. There are three E-Syts in mammals, which all contain an N-terminal transmembrane (TM) hairpin for the association with the ER membrane, and a central synaptotagmin-like mitochondrial-lipid binding protein (SMP) domain as a carrier for phospholipids. Additionally, mammalian E-Syt1 and E-Syt2/E-Syt3 respectively have five and three C2 domains at their C-terminus, which mediate their interaction with the plasma membrane. Here we report a novel E-Syt from the protist parasite Trypanosoma brucei, TbE-Syt. Despite also having the TM hairpin and the SMP domain, TbE-Syt contains only two C2 domains, which makes it the shortest E-Syt currently identified. We determined a 1.5 A resolution crystal structure of the TbE-Syt C2B domain, which showed that it binds two Ca2+ ions. Our mutagenesis studies demonstrated that TbE-Syt-C2B binds lipids via both Ca2+- and PI(4,5)P2-dependent means. Our bioinformatics analyses showed that TbE-Syt-C2A lacks the Ca2+-binding site found in C2B but may still interact with lipids via a basic surface patch. Furthermore, in contrast to the rigid V-shaped arrangement of the C2A and C2B domains in human E-Syt2, our analysis suggests that the two C2 domains in TbE-Syt are connected by a long flexible linker. We propose a working model for how TbE-Syt might tether the ER membrane and the plasma membrane to transfer lipids between the two organelles.
{"title":"Structural Studies of a Novel Extended Synaptotagmin with Only Two C2 Domains from Trypanosoma brucei","authors":"Emma Stepinac, N. Landrein, Daria Skwarzyńska, P. Wójcik, J. Lesigang, Ivan Lučić, Cynthia Y. He, M. Bonhivers, D. Robinson, G. Dong","doi":"10.2139/ssrn.3802018","DOIUrl":"https://doi.org/10.2139/ssrn.3802018","url":null,"abstract":"Extended synaptotagmins (E-Syts) are a group of evolutionarily conserved proteins localizing at membrane contact sites between the endoplasmic reticulum (ER) and the plasma membrane, where they mediate inter-membrane lipid transfer and control plasma membrane lipid homeostasis. There are three E-Syts in mammals, which all contain an N-terminal transmembrane (TM) hairpin for the association with the ER membrane, and a central synaptotagmin-like mitochondrial-lipid binding protein (SMP) domain as a carrier for phospholipids. Additionally, mammalian E-Syt1 and E-Syt2/E-Syt3 respectively have five and three C2 domains at their C-terminus, which mediate their interaction with the plasma membrane. Here we report a novel E-Syt from the protist parasite Trypanosoma brucei, TbE-Syt. Despite also having the TM hairpin and the SMP domain, TbE-Syt contains only two C2 domains, which makes it the shortest E-Syt currently identified. We determined a 1.5 A resolution crystal structure of the TbE-Syt C2B domain, which showed that it binds two Ca2+ ions. Our mutagenesis studies demonstrated that TbE-Syt-C2B binds lipids via both Ca2+- and PI(4,5)P2-dependent means. Our bioinformatics analyses showed that TbE-Syt-C2A lacks the Ca2+-binding site found in C2B but may still interact with lipids via a basic surface patch. Furthermore, in contrast to the rigid V-shaped arrangement of the C2A and C2B domains in human E-Syt2, our analysis suggests that the two C2 domains in TbE-Syt are connected by a long flexible linker. We propose a working model for how TbE-Syt might tether the ER membrane and the plasma membrane to transfer lipids between the two organelles.","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80976800","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}
K. Jacob, Abhinav Roy, M. Gururajan, Balila Nagamani Jaya, PhD
We introduce high dislocation densities in a maraging steel using High Pressure Torsion (HPT) processing, followed by ageing them. This gives rise to tensile behaviour substantially different from that of conventional maraging steels. Our Atom Probe Tomography (APT) studies on the steel, show that the morphologies of the Fe-Mo precipitates in such samples with a high density of networks of dislocations is disc-like. Finite element simulations of stress distributions and strain partitioning in such microstructures help explain the reduced macroscopic ductility in them. Using phase field modelling, we show that such morphologies are a result of faster diffusion paths provided by the dislocations. Thus, in addition to providing nucleation sites for precipitation, the faster diffusion paths influence the precipitate morphology and hence the macroscopic mechanical behaviour.
{"title":"Effect of Dislocation Networks on Precipitate Morphology in Maraging Steels","authors":"K. Jacob, Abhinav Roy, M. Gururajan, Balila Nagamani Jaya, PhD","doi":"10.2139/ssrn.3799669","DOIUrl":"https://doi.org/10.2139/ssrn.3799669","url":null,"abstract":"We introduce high dislocation densities in a maraging steel using High Pressure Torsion (HPT) processing, followed by ageing them. This gives rise to tensile behaviour substantially different from that of conventional maraging steels. Our Atom Probe Tomography (APT) studies on the steel, show that the morphologies of the Fe-Mo precipitates in such samples with a high density of networks of dislocations is disc-like. Finite element simulations of stress distributions and strain partitioning in such microstructures help explain the reduced macroscopic ductility in them. Using phase field modelling, we show that such morphologies are a result of faster diffusion paths provided by the dislocations. Thus, in addition to providing nucleation sites for precipitation, the faster diffusion paths influence the precipitate morphology and hence the macroscopic mechanical behaviour.","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"74 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85831256","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}
T. Hérisson de Beauvoir, Zakaria Ghomari, G. Chevallier, Andréas Flaureau, A. Weibel, C. Elissalde, F. Mauvy, R. Chaim, C. Estournès
We demonstrate the possibility to prepare porous 3 mol.% yttria stabilized zirconia ceramics thanks to a recently developed method called Flash-SPS, allowing extremely fast densification in just a few seconds. This method allows to reach heating rates up to 200 °C/s, which has a strong impact on sintering mechanisms, both in terms of densification and grain growth. We demonstrate the possible preparation of specimens with 5 to 15% porosity, limited grain growth (< 350 nm) and mechanical properties similar to fully dense ceramic. Through the use of sintering trajectories, but also based on microscopy, mechanical and electrical analyses, we highlight a new sintering mechanism. It appears that densification is largely advanced at grain boundary interfaces, while inter-grain porosity remains present. This phenomenon is particularly supported by the mechanical hardness and impedance spectroscopy measurements, the latter showing a very low impedance contribution from the grain boundaries despite the low density. This opens up opportunities for the fabrication of porous lightweight materials with high mechanical properties, but also presents interests in alternative sintering pathways for refractory ceramics.
{"title":"Flash Spark Plasma Sintering of 3YSZ: Modified Sintering Pathway and Impact on Grain Boundary Formation","authors":"T. Hérisson de Beauvoir, Zakaria Ghomari, G. Chevallier, Andréas Flaureau, A. Weibel, C. Elissalde, F. Mauvy, R. Chaim, C. Estournès","doi":"10.2139/ssrn.3797427","DOIUrl":"https://doi.org/10.2139/ssrn.3797427","url":null,"abstract":"We demonstrate the possibility to prepare porous 3 mol.% yttria stabilized zirconia ceramics thanks to a recently developed method called Flash-SPS, allowing extremely fast densification in just a few seconds. This method allows to reach heating rates up to 200 °C/s, which has a strong impact on sintering mechanisms, both in terms of densification and grain growth. We demonstrate the possible preparation of specimens with 5 to 15% porosity, limited grain growth (< 350 nm) and mechanical properties similar to fully dense ceramic. Through the use of sintering trajectories, but also based on microscopy, mechanical and electrical analyses, we highlight a new sintering mechanism. It appears that densification is largely advanced at grain boundary interfaces, while inter-grain porosity remains present. This phenomenon is particularly supported by the mechanical hardness and impedance spectroscopy measurements, the latter showing a very low impedance contribution from the grain boundaries despite the low density. This opens up opportunities for the fabrication of porous lightweight materials with high mechanical properties, but also presents interests in alternative sintering pathways for refractory ceramics.","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85226585","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}
Pawan Kumar Singotia, A. Choudhary, Shashikant Verma, Veeresh Fuskele
This study is performed with an objective to explore the performance and emission attribute of the biodiesel–diesel and ZrO2 nano particles in CI engine. In this investigation the biodiesel–diesel and ZrO2 nano particles blends has been formulated in different ratios like 30% Biodiesel 70% diesel with 10 ppm of ZrO2 and 50 ppm of ZrO2. The emulsion of nano particles shows good consistency in prepared blends and it increase the oxidation rate with increased combustion and less emission rates. To observe the effect experimentation is done with varying Load (0%, 25%, 50%, 75%, 100%). Form the investigation it has been elicited that ZrO2 nanoparticles decreases the BSFC and increases the BTE as compared to diesel fueled engine. Beside the improvement in performance of the engine the addition of ZrO2 nanoparticles CO and NOX emission has been also increases.
{"title":"An Assessment of Performance and Emission Characteristics of Diesel Engine Fueled with Zirconia Nanoparticles Additive in Diesel Biodiesel Blend","authors":"Pawan Kumar Singotia, A. Choudhary, Shashikant Verma, Veeresh Fuskele","doi":"10.2139/ssrn.3825784","DOIUrl":"https://doi.org/10.2139/ssrn.3825784","url":null,"abstract":"This study is performed with an objective to explore the performance and emission attribute of the biodiesel–diesel and ZrO2 nano particles in CI engine. In this investigation the biodiesel–diesel and ZrO2 nano particles blends has been formulated in different ratios like 30% Biodiesel 70% diesel with 10 ppm of ZrO2 and 50 ppm of ZrO2. The emulsion of nano particles shows good consistency in prepared blends and it increase the oxidation rate with increased combustion and less emission rates. To observe the effect experimentation is done with varying Load (0%, 25%, 50%, 75%, 100%). Form the investigation it has been elicited that ZrO2 nanoparticles decreases the BSFC and increases the BTE as compared to diesel fueled engine. Beside the improvement in performance of the engine the addition of ZrO2 nanoparticles CO and NOX emission has been also increases.","PeriodicalId":10639,"journal":{"name":"Computational Materials Science eJournal","volume":"95 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83954721","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}
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