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surfinpy: A surface phase diagram generator (2019)
Journal Article
Symington, A. R., Tse, J., Molinari, M., Marmier, A., & Parker, S. C. (2019). surfinpy: A surface phase diagram generator. Journal of Open Source Software, 4(34), 1210. https://doi.org/10.21105/joss.01210

A surface phase diagram is a graphical representation of the different physical states of a surface under different conditions. The surface represents the first point of contact between the material and the environment. Thus, understanding the state... Read More about surfinpy: A surface phase diagram generator.

Evidence of negative Poisson's ratio in wood from finite element analysis and off-axis compression experiments (2017)
Journal Article
Marmier, A., Biesheuvel, S., Elmalik, M., Kirke, A., Langhof, M., Paiva, J. P., …Evans, K. E. (2018). Evidence of negative Poisson's ratio in wood from finite element analysis and off-axis compression experiments. Materials Letters, 210, 255-257. https://doi.org/10.1016/j.matlet.2017.09.026

© 2017 The microstructure of wood is highly anisotropic, which suggests that this material could exhibit unusual elastic properties. A few studies have suggested the possibility of auxeticity, or negative Poisson's ratio (NPR) in some wood samples. I... Read More about Evidence of negative Poisson's ratio in wood from finite element analysis and off-axis compression experiments.

Determination of the Anisotropic Elastic Properties of Rocksalt Ge2Sb2Te5 by XRD, Residual Stress, and DFT (2016)
Journal Article
Cecchini, R., Kohary, K., Fernández, A., Cabibbo, M., & Marmier, A. (2016). Determination of the Anisotropic Elastic Properties of Rocksalt Ge2Sb2Te5 by XRD, Residual Stress, and DFT. Journal of Physical Chemistry C, 120(10), 5624-5629. https://doi.org/10.1021/acs.jpcc.5b09867

© 2016 American Chemical Society. The chalcogenide material Ge2Sb2Te5 is the prototype phase-change material, with widespread applications for optical media and random access memory. However, the full set of its independent elastic properties has not... Read More about Determination of the Anisotropic Elastic Properties of Rocksalt Ge2Sb2Te5 by XRD, Residual Stress, and DFT.

Flexibility in MOFs: Do scalar and group-theoretical counting rules work? (2015)
Journal Article
Marmier, A., & Evans, K. E. (2016). Flexibility in MOFs: Do scalar and group-theoretical counting rules work?. Dalton Transactions, 45(10), 4360-4369. https://doi.org/10.1039/c5dt03586d

© The Royal Society of Chemistry 2016. We investigate the ability of counting rules drafted from engineering to predict the flexibility or rigidity of bar-and-joint or body-and-joint assemblies representing metal organic frameworks. We show that whil... Read More about Flexibility in MOFs: Do scalar and group-theoretical counting rules work?.

A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST (2015)
Journal Article
Siddorn, M., Coudert, F. X., Evans, K. E., & Marmier, A. (2015). A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST. Physical Chemistry Chemical Physics, 17(27), 17927-17933. https://doi.org/10.1039/c5cp01168j

© the Owner Societies 2015. Single crystals can commonly have negative Poisson's ratio in a few directions; however more generalised auxeticity is rarer. We propose a typology to distinguish auxetic materials. We characterise numerous single crystals... Read More about A systematic typology for negative Poisson's ratio materials and the prediction of complete auxeticity in pure silica zeolite JST.

Negative linear compressibility in common materials (2015)
Journal Article
Miller, W., Evans, K. E., & Marmier, A. (2015). Negative linear compressibility in common materials. Applied Physics Letters, 106(23), 231903. https://doi.org/10.1063/1.4922460

Negative linear compressibility (NLC) is still considered an exotic property, only observed in a few obscure crystals. The vast majority of materials compress axially in all directions when loaded in hydrostatic compression. However, a few materials... Read More about Negative linear compressibility in common materials.