Lithium concentration dependent structure and mechanics of amorphous silicon

Article

Sitinamaluwa, H. S., Wang, M. C., Will, G, Senadeera, W., Zhang, S. and Yan, C.. 2016. "Lithium concentration dependent structure and mechanics of amorphous silicon." Journal of Applied Physics. 119 (24). https://doi.org/10.1063/1.4954683
Article Title

Lithium concentration dependent structure and mechanics of amorphous silicon

ERA Journal ID994
Article CategoryArticle
AuthorsSitinamaluwa, H. S. (Author), Wang, M. C. (Author), Will, G (Author), Senadeera, W. (Author), Zhang, S. (Author) and Yan, C. (Author)
Journal TitleJournal of Applied Physics
Journal Citation119 (24)
Article Number245103
Number of Pages6
Year2016
PublisherAIP Publishing
Place of PublicationUnited States
ISSN0021-8979
1089-7550
Digital Object Identifier (DOI)https://doi.org/10.1063/1.4954683
Web Address (URL)https://pubs.aip.org/aip/jap/article-abstract/119/24/245103/344991/Lithium-concentration-dependent-structure-and?redirectedFrom=fulltext
Abstract

A better understanding of lithium-silicon alloying mechanisms and associated mechanical behavior is essential for the design of Si-based electrodes for Li-ion batteries. Unfortunately, the relationship between the dynamic mechanical response and microstructure evolution during lithiation and delithiation has not been well understood. We use molecular dynamic simulations to investigate lithiated amorphous silicon with a focus to the evolution of its microstructure, phase composition, and stress generation. The results show that the formation of LixSi alloy phase is via different mechanisms,depending on Li concentration. In these alloy phases, the increase in Li concentration results in reduction of modulus of elasticity and fracture strength but increase in ductility in tension. For a LixSi system with uniform Li distribution, volume change induced stress is well below the fracture strength in tension.

Keywordsmechanical behavior, lithium silicon alloy, microstructure
Contains Sensitive ContentDoes not contain sensitive content
ANZSRC Field of Research 2020401602. Composite and hybrid materials
Public Notes

This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Appl. Phys. 119, 245103 (2016) and may be found at https://doi.org/10.1063/1.4954683.

Byline AffiliationsQueensland University of Technology
Griffith University
Institution of OriginUniversity of Southern Queensland
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Thibbotuwawa, Namal, Oloyede, Adekunle, Li, Tong, Singh, Sanjileena, Senadeera, Wijitha and Gu, YuanTong. 2015. "Physical mechanisms underlying the strain-rate-dependent mechanical behavior of kangaroo shoulder cartilage." Applied Physics Letters. 107 (10). https://doi.org/10.1063/1.4929498
Drying characteristics and quality of grape under physical pretreatment
Adiletta, G., Russo, P., Senadeera, W. and Di Matteo, M.. 2016. "Drying characteristics and quality of grape under physical pretreatment." Journal of Food Engineering. 172, pp. 9-18. https://doi.org/10.1016/j.jfoodeng.2015.06.031
SPH-DEM approach to numerically simulate the deformation of three‑dimensional RBCs in non‑uniform capillaries
Polwaththe-Gallage, Hasitha-Nayanajith, Saha, Suvash C., Sauret, Emily, Flower, Robert, Senadeera, Wijitha and Gu, YuanTong. 2016. "SPH-DEM approach to numerically simulate the deformation of three‑dimensional RBCs in non‑uniform capillaries." BioMedical Engineering OnLine. 15 (2 (Supplement)), pp. 349-370. https://doi.org/10.1186/s12938-016-0256-0
Novel trends in numerical modelling of plant food tissues and their morphological changes during drying - a review
Rathnayaka Mudiyanselage, C. M., Karunasena, H. C. P., Gu, Y. T., Guan, L. and Senadeera, W.. 2017. "Novel trends in numerical modelling of plant food tissues and their morphological changes during drying - a review." Journal of Food Engineering. 194, pp. 24-39. https://doi.org/10.1016/j.jfoodeng.2016.09.002
A mesh free model for plant tissue deformations during drying
Karunasena, H. C. P., Senadeera, W., Brown, R. J. and Gu, Y. T.. 2014. "A mesh free model for plant tissue deformations during drying." Australia and New Zealand Industrial and Applied Mathematics (ANZIAM) Journal. 55 (EMAC2013), pp. C110-C137.
An artificial neutral network (ANN) model for predicting biodiesel kinetic viscosity as a function of temperature and chemical compositions
Jahirul, M. L., Senadeera, W., Brooks, P., Brown, R. J., Situ, R., Pham, P. X. and Masri, A. R.. 2013. "An artificial neutral network (ANN) model for predicting biodiesel kinetic viscosity as a function of temperature and chemical compositions." Piantadosi, J., Anderssen, R. S. and Boland, J. (ed.) 20th International Congress on Modelling and Simulation (MODSIM2013). Adelaide, Australia 01 - 06 Dec 2013 Australia. Modelling and Simulation Society of Australia and New Zealand . https://doi.org/10.36334/modsim.2013.G6.jahirul
A variable diffusivity model for the drying of spherical food particulates
Walker, Lauren and Senadeera, Wijitha. 2014. "A variable diffusivity model for the drying of spherical food particulates." Applied Mechanics and Materials. 553, pp. 94-99. https://doi.org/10.4028/www.scientific.net/AMM.553.94
Optimisation of bio-oil extraction process from Beauty Leaf (Calophyllum inophyllum) oil seed as a second generation biodiesel source
Jahirul, M. I., Brown, J. R., Senadeera, W., Aswath, N., Laing, C., Leski-Taylor, J. and Rasul, M. G.. 2013. "Optimisation of bio-oil extraction process from Beauty Leaf (Calophyllum inophyllum) oil seed as a second generation biodiesel source." Procedia Engineering. 56, pp. 619-624. https://doi.org/10.1016/j.proeng.2013.03.168
Influence of drying conditions on the moisture diffusion and fluidization quality during multi-stage fluidized bed drying of bovine intestine for pet food
Senadeera, W., Alves-Filho, O. and Eikevik, T.. 2013. "Influence of drying conditions on the moisture diffusion and fluidization quality during multi-stage fluidized bed drying of bovine intestine for pet food." Food and Bioproducts Processing. 91 (C4), pp. 549-557. https://doi.org/10.1016/j.fbp.2013.08.008
Simulation of plant cell shrinkage during drying – a SPH–DEM approach
Karunasena, H. C. P., Senadeera, W., Brown, R. J. and Gu, Y. T.. 2014. "Simulation of plant cell shrinkage during drying – a SPH–DEM approach." Engineering Analysis with Boundary Elements. 44, pp. 1-18. https://doi.org/10.1016/j.enganabound.2014.04.004
Neutral and charged boron-doped fullerenes for CO2 adsorption
de Silva, Suchitra W., Du, Aijun, Senadeera, Wijitha and Gu, YuanTong. 2014. "Neutral and charged boron-doped fullerenes for CO2 adsorption." Beilstein Journal of Nanotechnology. 5, pp. 413-418. https://doi.org/10.3762/bjnano.5.49
Drying kinetics, quality changes and shrinkage of two grape varieties of Italy
Senadeera, W., Adiletta, G., Di Matteo, M. and Russo, P.. 2014. "Drying kinetics, quality changes and shrinkage of two grape varieties of Italy." Applied Mechanics and Materials. 553, pp. 362-366. https://doi.org/10.4028/www.scientific.net/AMM.553.362
A coupled SPH-DEM model for micro-scale structural deformations of plant cells during drying
Karunasena, H. C. P., Senadeera, W., Gu, Y. T. and Brown, R. J.. 2014. "A coupled SPH-DEM model for micro-scale structural deformations of plant cells during drying." Applied Mathematical Modelling: simulation and computation for engineering and environmental systems. 38 (15-16), pp. 3781-3801. https://doi.org/10.1016/j.apm.2013.12.004
Physio-chemical assessment of beauty leaf (Calophyllum inophyllum)as second-generation biodiesel feedstock
Jahirul, M. I., Brown, R. J., Senadeera, W., Ashwath, N., Rasul, M. G., Rahman, M. M., Hossain, Farhad M., Moghaddam, Lalehvash, Islam, M. A. and O'Hara, I. M.. 2015. "Physio-chemical assessment of beauty leaf (Calophyllum inophyllum)as second-generation biodiesel feedstock." Energy Reports. 1, pp. 204-215. https://doi.org/10.1016/j.egyr.2015.10.003
Investigation of the mechanical behavior of kangaroo humeral head cartilage tissue by a porohyperelastic model based on the strain-rate-dependent permeability
Thibbotuwawa, Namal, Oloyede, Adekunle, Senadeera, Wijitha, Li, Tong and Gu, YuanTong. 2015. "Investigation of the mechanical behavior of kangaroo humeral head cartilage tissue by a porohyperelastic model based on the strain-rate-dependent permeability." Journal of The Mechanical Behavior of Biomedical Materials. 51, pp. 248-259. https://doi.org/10.1016/j.jmbbm.2015.07.018
Estimation of biodiesel properties from chemical composition – an artificial neural network (ANN) approach
Jahirul, M. I., Senadeera, W., Brown, R. J. and Moghaddam, L.. 2014. "Estimation of biodiesel properties from chemical composition – an artificial neural network (ANN) approach." International Scientific Journal of Environmental Science. 3 (3), pp. 1-7.
Analysis of strain-rate dependent mechanical behavior of single chondrocyte: a finite element study
Gu, YuanTong, Nguyen, Trung Dung, Oloyede, Adekunle and Senadeera, Wijitha. 2014. "Analysis of strain-rate dependent mechanical behavior of single chondrocyte: a finite element study." International Journal of Computational Methods. 11 (1 (Supplement)), pp. 1344005-1. https://doi.org/10.1142/S0219876213440052
A particle based model to simulate microscale morphological changes of plant tissues during drying
Karunasena, H. C. P., Senadeera, W., Brown, R. J. and Gu, Y. T.. 2014. "A particle based model to simulate microscale morphological changes of plant tissues during drying." Soft Matter. 10 (29), pp. 5249-5268. https://doi.org/10.1039/c4sm00526k
The influence of abrasive pretreatment on hot air drying of grape
Adiletta, Giuseppina, Senadeera, Wijitha, Liguori, Loredana, Crescitelli, Alessio, Albanese, Donatella and Russo, Paula. 2015. "The influence of abrasive pretreatment on hot air drying of grape." Food and Nutrition Sciences. 6, pp. 355-364. https://doi.org/10.4236/fns.2015.63036
Numerical investigation of plant tissue porosity and its influence on cellular level shrinkage during drying
Karunasena, H. C. P., Gu, Y. T., Brown, R. J. and Senadeera, W.. 2015. "Numerical investigation of plant tissue porosity and its influence on cellular level shrinkage during drying." Biosystems Engineering. 132, pp. 71-87. https://doi.org/10.1016/j.biosystemseng.2015.02.002
Influence of drying conditions on the moisture diffusion during single stage and two stage fluidized bed drying of bovine intestine for pet food
Alves-Filho, O., Senadeera, W. and Eikevik, T.. 2013. "Influence of drying conditions on the moisture diffusion during single stage and two stage fluidized bed drying of bovine intestine for pet food." Goncharova-Alves, S., Alves-Filho, O. and Eikevik, T. M. (ed.) 6th Nordic Drying Conference (NDC2013). Copenhagen, Denmark 05 - 07 Jun 2013 Copenhagen, Denmark.
Drying condition effects on fluidization quality and fluidization velocity at initial and final stages of cubical particulates for pet food
Alves-Filho, O., Senadeera, W. and Eikevik, T.. 2013. "Drying condition effects on fluidization quality and fluidization velocity at initial and final stages of cubical particulates for pet food." Goncharova-Alves, S., Alves-Filho, O. and Eikevik, T. M. (ed.) 6th Nordic Drying Conference (NDC2013). Copenhagen, Denmark 05 - 07 Jun 2013 Copenhagen, Denmark.
Application of meshfree methods to numerically simulate microscale deformations of different plant food materials during drying
Karunasena, H. C. P., Brown, R. J., Gu, Y. T. and Senadeera, W.. 2015. "Application of meshfree methods to numerically simulate microscale deformations of different plant food materials during drying." Journal of Food Engineering. 146, pp. 209-226. https://doi.org/10.1016/j.jfoodeng.2014.09.011
The use of artificial neural networks for identifying sustainable biodiesel feedstocks
Jahirul, Mohammed I., Brown, Richard J., Senadeera, Wijitha, O'Hara, Ian M. and Ristovski, Zoran D.. 2013. "The use of artificial neural networks for identifying sustainable biodiesel feedstocks." Energies. 6 (8), pp. 3764-3806. https://doi.org/10.3390/en6083764
Scanning electron microscopic study of microstructure of gala apples during hot air drying
Karunasena, H. C. P., Hesami, P., Senadeera, W., Gu, Y. T., Brown, R. J. and Oloyede, A.. 2014. "Scanning electron microscopic study of microstructure of gala apples during hot air drying." Drying Technology: an international journal. 32 (4), pp. 455-468. https://doi.org/10.1080/07373937.2013.837479
Numerical investigation of case hardening of plant tissue during drying and its influence on the cellular-level shrinkage
Karunasena, H. C. P., Gu, Y.T., Brown, R. J. and Senadeera, W.. 2015. "Numerical investigation of case hardening of plant tissue during drying and its influence on the cellular-level shrinkage." Drying Technology: an international journal. 33 (6), pp. 713-734. https://doi.org/10.1080/07373937.2014.982759
Biodiesel production from non-edible beauty leaf (Calophyllum inophyllum) oil: process pptimization using response surface methodology (RSM)
Jahirul, Mohammad I., Koh, Wenyong, Brown, Richard J., Senadeera, Wijitha, O'Hara, Ian and Moghaddam, Lalehvash. 2014. "Biodiesel production from non-edible beauty leaf (Calophyllum inophyllum) oil: process pptimization using response surface methodology (RSM)." Energies. 7 (8), pp. 5317-5331. https://doi.org/10.3390/en7085317
Numerical Modeling of Morphological Changes of Food Plant Materials during Drying
Karunasena, H. C. P. and Senadeera Wijitha. 2017. "Numerical Modeling of Morphological Changes of Food Plant Materials during Drying ." Zhang, Min, Bhandari, Bhesh and Fang, Zhongxiang (ed.) Handbook of Drying of Vegetables and Vegetable Products. United Kingdom. CRC Press. pp. 387-427
Estimating life cycle cost for a product family design: The challenges
Suteja, T. J., Karim, A., Yarlagadda, P. K. D. V. and Yan, C.. 2017. "Estimating life cycle cost for a product family design: The challenges." 1st International Conference on Informatics, Technology and Engineering (INCITE 2017). Indonesia 24 - 25 Aug 2017 United Kingdom. IOP Publishing. https://doi.org/10.1088/1757-899X/273/1/012026
Investigation on Temperature-Dependent Electrical Conductivity of Carbon Nanotube/Epoxy Composites for Sustainable Energy Applications
Njuguna, Michael K., Galpaya, Dilini, Yan, Cheng, Colwell, Colwell, Will, Geoffrey, Hu, Ning, Yarlagadda, Prasad and Bell, John M.. 2015. "Investigation on Temperature-Dependent Electrical Conductivity of Carbon Nanotube/Epoxy Composites for Sustainable Energy Applications." Journal of Nanoscience and Nanotechnology. 15 (9), pp. 6957-6964. https://doi.org/10.1166/jnn.2015.10514
Tensile properties of Si nanowires with faulted stacking layers
Zhan, Haifei, Gu, Yuantong, Yan, Cheng and Yarlagadda, Prasad K. D. V.. 2014. "Tensile properties of Si nanowires with faulted stacking layers." Science of Advanced Materials. 6 (7), pp. 1489-1492. https://doi.org/10.1166/sam.2014.1800
An Activity and Resource Advisory System for Manufacturing Process Chains Selection at the Early Stage of Product Development
The, Jaya Suteja, Yarlagadda, Prasad K. D. V., Karim, Azharul and Yan, Cheng. 2014. "An Activity and Resource Advisory System for Manufacturing Process Chains Selection at the Early Stage of Product Development." 3rd International Conference on Materials and Products Manufacturing Technology (ICMPMT 2013). China 25 - 26 Sep 2013 Scientific.Net. https://doi.org/10.4028/www.scientific.net/AMR.834-836.1927
Bending properties of Ag nanowires with pre-existing surface defects
Zhan, H. F., Gu, Y. T., Yan, C. and Yarlagadda, P. K. D. V.. 2014. "Bending properties of Ag nanowires with pre-existing surface defects." Computational Materials Science. 81, pp. 45-51. https://doi.org/10.1016/j.commatsci.2013.05.032
The Drying Constant and its Effect on the Shrinkage Constant of Different-Shaped Food Particulates
Senadeera, Wijitha. 2008. "The Drying Constant and its Effect on the Shrinkage Constant of Different-Shaped Food Particulates." International Journal of Food Engineering. 4 (8). https://doi.org/10.2202/1556-3758.1219
Drying constant and shrinkage constant relations of different shaped food particulates: empirical models
Senadeera, W.. 2008. "Drying constant and shrinkage constant relations of different shaped food particulates: empirical models." Thorat, B. N. and Mujumdar, A. S. (ed.) 16th International Drying Symposium (IDS 2008). Hyderabad, India 09 - 12 Nov 2008 https://doi.org/10.1080/07373930903221812
Fluidization characteristics of moist food particles
Senadeera, Wijitha, Wijesinghe, Bandu, Young, Gordon and Bhandari, Bhesh. 2006. "Fluidization characteristics of moist food particles." International Journal of Food Engineering. 2 (1), pp. 1-13. https://doi.org/10.2202/1556-3758.1047
Modeling dimensional shrinkage of shaped foods in fluidized bed drying
Senadeera, Wijitha, Bhandari, Bhesh R., Young, Gordon and Wijesinghe, Bandu. 2005. "Modeling dimensional shrinkage of shaped foods in fluidized bed drying." Journal of Food Processing and Preservation. 29 (2), pp. 109-119. https://doi.org/10.1111/j.1745-4549.2005.00017.x
Influence of shapes of selected vegetable materials on drying kinetics during fluidized bed drying
Senadeera, Wijitha, Bhandari, Bhesh R., Young, Gordon and Wijesinghe, Bandu. 2003. "Influence of shapes of selected vegetable materials on drying kinetics during fluidized bed drying." Journal of Food Engineering. 58 (3), pp. 277-283. https://doi.org/10.1016/S0260-8774(02)00386-2
Methods for effective fluidization of particulate food materials
Senadeera, Wijitha, Bhandari, Bhesh R., Young, Gordon and Wijesinghe, Bandu. 2000. "Methods for effective fluidization of particulate food materials." Drying Technology: an international journal. 18 (7), pp. 1537-1557. https://doi.org/10.1080/07373930008917792
Physical properties and fluidization behaviour of fresh green bean particulates during fluidized bed drying
Senadeera, W., Bhandari, B., Young, G. and Wijesinghe, B.. 2000. "Physical properties and fluidization behaviour of fresh green bean particulates during fluidized bed drying." Food and Bioproducts Processing. 78 (C1), pp. 43-47. https://doi.org/10.1205/096030800532707