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Phase Transitions

Landau Theory for PCMs

Matthias Thielen, Razvan A. Nistor, Guillermo Beltramo, Margret Giesen, and Martin H. Müser,
Landau theory for stress-induced, order-disorder transitions in phase change materials ,
Phys. Rev. B 89, 054101 (2014). (accepted version)
DOI: 10.1103/PhysRevB.89.054101



Mechanical properties of zinc and calcium phosphates

D. Shakhvorostov, M. A. Nicholls, P. R. Norton, and M. H. Müser,
Mechanical properties of zinc and calcium phosphates: Structural insights and relevance to anti-wear functionality,
Eur. Phys. J. B 76, 347-352 (2010) (submitted version), DOI: 10.1140/epjb/e2010-00193-3



Phase Change Materials

picture of phase change materialsPhase change materials are class of materials, which can remain stable in a crystal or amorphous phase at ambient conditions requiring a significant amount of heat for a phase change. PCMs are gaining application in memory devices, where a bit of information is stored by changing the phase of a material region with help of heat, long pulse – recrystallization, short pulse – amorphization. We found that (more…)



Smart materials behaviour in phosphates

D. Shakhvorostov, M. H. Müser, Y. Song, and P. R. Norton,
Smart materials behaviour in phosphates: Role of hydroxyl groups and relevance to antiwear films,
J. Chem. Phys. 131, 044704 (2009); accepted version, DOI:10.1063/1.3182854



Correlating cation coordination, stiffness, phase transition pressures, and smart materials behavior in metal phosphates

D. Shakhvorostov, M. H. Müser, N. J. Mosey, Y. Song and P. R. Norton,
Correlating cation coordination, stiffness, phase transition pressures, and smart materials behavior in metal phosphates,
Phys. Rev. B 79, 094107 (2009); submitted version, DOI:10.1103/PhysRevB.79.094107.



On the pressure-induced loss of crystallinity in zinc- and calcium-phosphates

D. Shakhvorostov, M. H. Müser, N. J. Mosey, D. J. Munoz-Paniagua, G. Pereira, Y. Song, M. Kasrai, and P. R. Norton,
On the pressure-induced loss of crystallinity in zinc- and calcium-phosphates,
J. Chem. Phys. 128, 074706 (2008) accepted version.



Interpretation of experiments on ZDDP anti-wear films through pressure-induced cross-linking

N. J. Mosey, T. K. Woo, M. Kasrai, P. R. Norton, G. M. Bancroft, and M. H. Müser,
Interpretation of experiments on ZDDP anti-wear films through pressure-induced cross-linking,

Tribol. Lett. 24, 105-114 (2006). (preprint).



Local order in beta-quartz and the displacive nature of the alpha-beta transition in quartz

M. H. Müser and K. Binder,
Local order in beta-quartz and the displacive nature of the alpha-beta transition in quartz: Molecular dynamics studies in the constant stress ensemble,
Phys. Chem. Miner. 28, 746-755 (2001).



Second-order reentrant phase transition in the quantum anisotropic planar rotor model

B. Hetenyi, M. H. Müser, and B. J. Berne,
Second-order reentrant phase transition in the quantum anisotropic planar rotor model,
Phys. Rev. Lett. 83, 4606 (1999).



Orientational quantum melting and reentrance of linear rotors pinned onto surfaces

M. H. Müser and J. Ankerhold,
Orientational quantum melting and reentrance of linear rotors pinned onto surfaces,
Europhys. Lett. 44, 216 (1998).



Zero-temperature phase transitions in molecular solids by diffusion Monte Carlo

M. H. Müser,
Zero-temperature phase transitions in molecular solids by diffusion Monte Carlo,
in Computer Simulation Studies in Condensed Matter Physics XI
Eds. D. P. Landau, K. K. Mon, and H. B. Schüttler (Springer Verlag, Berlin, 1998).



Role of translation-rotation coupling on phase diagrams of N2-solids and related systems

D. Löding, M. H. Müser, and P. Nielaba,
Role of translation-rotation coupling on phase diagrams of N2-solids and related systems,
Z. Phys. B – Condensed Matter 102, 505 (1997).



The path-integral Monte Carlo scheme for rigid tops

M. H. Müser and B. J. Berne,
The path-integral Monte Carlo scheme for rigid tops: Application to quantum rotator phase transition in solid methane,
Phys. Rev. Lett. 77, 2638 (1996).