High Pressure – Lehrstuhl für Materialsimulation

Zinc phosphate film formation under anisotropic stress

Stress Anisotropy Severely Affects Zinc Phosphate Network Formation
Sergey V. Sukhomlinov and Martin H. Müser, Tribol. Lett. 69, 89 (2021)
submitted manuscript
(supplemental materials)

DOI: 10.1007/s11249-021-01462-6

A new function for local structure characterization

A mixed radial, angular, three-body distribution function as a tool for local structure characterization: Application to single-component structures
Sergey V. Sukhomlinov and Martin H. Müser,
J. Chem. Phys. 152, 07964 (2020)

DOI: 10.1063/5.0007964
accepted version, supplementary material
g3.tar (tar ball with code, readme file, and example)

confined solidification

Hongyu Gao and Martin H. Müser
Why liquids can appear to solidify during squeeze-out – even when they don’t
Journal of Colloidal and Interface Science 562, 273–278 (2020);
preprint / free download for 50 days

DOI: 10.1016/j.jcis.2019.10.097

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

Crystallization pressure of phase change materials

D. Shakhvorostov and M. H. Müser,
Effect of dopant size and dopant concentration on the crystallization pressure of phase change materials: The role of local order and non-local interactions,
EPL 93, 36002 (2011); (submitted version).

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

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

Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials

D. Shakhvorostov, R. A. Nistor, L. Krusin-Elbaum, G. J. Martyna, D. M. Newns, B. G. Elmegreen, X. Liu, Z. E. Hughes, S. Paul, C. Cabral Jr., S. Raoux, D. B. Shrekenhamer, D. N. Basov, Y. Song, and M. H. Müser,
Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials,
Proc. Natl. Acad. Sci. USA 106, 10907-10911 (2009).
DOI information: 10.1073/pnas.0812942106.

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).

Molecular mechanisms for the functionality of lubricant additives

N. J. Mosey, M. H. Müser, and T. K. Woo,
Molecular mechanisms for the functionality of lubricant additives,
Science 307, 1612-1615 (2005); (full version / abstract only).
In the science media:

Washington Post (scroll down)

Online edition of the Discovery Channel

Science News (US) and Science Now (UK)

CHEMICAL and Engineering News

On finite-size effects in the simulation of high-pressure, quartz-like structures

C. Campana and M. H. Müser,
On finite-size effects in the simulation of high-pressure, quartz-like structures,
High-Press. Res. 24, 517-523 (2004). (preliminary version).

On the irreversibility of the pressure-induced phase transition of quartz

C. Campana, M. H. Müser, J. S. Tse, D. Herzbach, and P. Schöffel,
On the irreversibility of the pressure-induced phase transition of quartz and the relation between three hypothetical post-quartz phases,
Phys. Rev. B 70, 224101 (2004); (submitted version).

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