R. A. Nistor, G. J. Martyna, D. M. Newns, C. C. Tsuei, and M. H. Müser,
Ab initio theory of the pseudogap in cuprate superconductors driven by C4 symmetry breaking,
Phys. Rev. B 81, 224301 (accepted version), DOI: 81.224301/PhysRevB.81.224301
Category: Publications
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).
Transverse interfacial stiffness
C. Campana, B. N. J. Persson, and M. H. Müser,
Transverse and normal interfacial stiffness of solids with randomly rough surfaces,
J. Phys.: Condens. Matter 23, 085001 (2011) (accepted version).
DOI information: stacks.iop.org/JPhysCM/23/085001.
The friction of wrinkles
H. Mohammadi and M. H. Müser,
The friction of wrinkles
Phys. Rev. Lett. 105, 224301 (2010), (accepted version), DOI: 10.1103/PhysRevLett.105.224301
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
A gold marker technique revealing phase-specific wear
D. Shakhvorostov, P. R. Norton, and M. H. Müser,
A gold marker technique revealing phase-specific wear and sub-surface deformation with nanometer resolution,
Adv. Mater. 22, 2814 (2010) (accepted version), DOI: 10.1002/adma.201000609
Rationalizing phase change materials from elementary principles
M. H. Müser,
Rationalizing phase change materials from elementary principles,
Eur. Phys. J. B 74, 291-302 (2010) (accepted version), DOI: (10.1140/epjb/e2010-00072-y)
Why thick can be slick
M. H. Müser and D. Shakhvorostov,
Why thick can be slick, (invited commentary)
Science 328, 52-53 (2010) (original), DOI: 10.1126/science.1188086
First principles-based theory of collective creep
M. H. Müser,
First principles-based theory of collective creep (invited commentary)
Proc. Natl. Acad. Sci. USA 107, 1257-1258 (2010), DOI: 10.1073/pnas.0914458107
The crucial role of chemical detail for slip boundary conditions
L.-T. Kong, C. Denniston, and M. H. Müser,
The crucial role of chemical detail for slip boundary conditions: Molecular dynamics simulations of linear oligomers between sliding aluminium surfaces ,
Model. Simul. Mater. Sc. Eng.18, 034004 (2010); doi (10.1088/0965-0393/18/3/034004); (accepted version).
Origin of the isotope effect on solid friction
Y. Mo, M. H. Müser, and I. Szlufarska,
Origin of the isotope effect on solid friction,
Phys. Rev. B 80, 155438 (2009). (accepted version).
DOI information: 10.1103/PhysRevB.80.155438.
Non-bonded force field for the interaction between metals and organic molecules
L. T. Kong, C. Denniston, M. H. Müser, and Y. Qi,
Non-bonded force field for the interaction between metals and organic molecules: A case study of olefins on aluminum,
Phys. Chem. Chem. Phys. 11, 10195-10203 (2009), accepted version.
DOI information: 10.1039/B906874K.
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.
A comparative study of the centroid and ring polymer molecular dynamics
A. Perez, M. E. Tuckerman, and M. H. Müser,
A comparative study of the centroid and ring polymer molecular dynamics methods for approximating quantum time correlation functions from path integrals,
J. Chem. Phys. 130, 184105 (2009); accepted version, DOI:10.1063/1.3126950.
Dielectric properties of solids in the regular and split-charge equilibration formalisms
R. A. Nistor and M. H. Müser,
Dielectric properties of solids in the regular and split-charge equilibration formalisms,
Phys. Rev. B 79 104303 (2009); submitted version.
DOI information: 10.1103/PhysRevB.79.104303.
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.
Implementation of Green’s function molecular dynamics: an extension to LAMMPS
L. T. Kong, G. Bartels, C. Campana, C. Denniston, and M. H. Müser,
Implementation of Green’s function molecular dynamics: an extension to LAMMPS,
Comput. Phys. Comm. 180, 1004-1010 (2009); ( submitted version),
DOI information: 10.1016/j.cpc.2008.12.035.
How static is static friction?
M. H. Müser,
How static is static friction? (invited commentary)
Proc. Natl. Acad. Sci. USA 105, 13187-13188 (2008), (original), DOI:10.1073/pnas.0807273105.
Elastic contact between self-affine surfaces
C. Campana, M. H. Müser, and M. O. Robbins,
Elastic contact between self-affine surfaces: Comparison of numerical stress and contact correlation fucntions with analytic predictions,
J. Phys.: Condens. Matter 20, 354013 (2008). Download preprint or http://arXiv.org/abs/0804.0062, DOI: 10.1088/0953-8984/20/35/354013
Scaling laws of single polymer dynamics near attractive surfaces
D. Mukherji, G. Bartels, and M. H. Müser,
Scaling laws of single polymer dynamics near attractive surfaces,
Phys. Rev. Lett. 100, 068301 (2008)
accepted version, supplementary material,
DOI:10.1103/PhysRevLett.100.068301
A rigorous, field-theoretical approach to the contact mechanics of rough, elastic solids
M. H. Müser,
A rigorous, field-theoretical approach to the contact mechanics of rough, elastic solids,
Phys. Rev. Lett. 100, 055504 (2008), accepted version, mathematical appendix.
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.
Elucidating the contact mechanics of aluminum silicon surfaces with Green’s function molecular dynamics
C. Campana, M. H. Müser, C. Denniston, Y. Qi, and T. A. Perry,
Elucidating the contact mechanics of aluminum silicon surfaces with Green’s function molecular dynamics,
J. Appl. Phys. 102, 113511 (2007) accepted version.
Atomistic modeling of friction
N. J. Mosey and M. H. Müser,
Atomistic modeling of friction,
Rev. Comp. Chem. 25, 67-124 (2007),
K. B. Lipkowitz, R. Larter, and T. R. Cundari, Eds., Wiley-VCH, New York
Available upon request.
Glassy dynamics, aging in mobility, and structural relaxation of strongly adsorbed polymer films
D. Mukherji and M. H. Müser,
Glassy dynamics, aging in mobility, and structural relaxation of strongly adsorbed polymer films: Corrugation or confinement?,
Macromolecules 40, 1754 – 1762 (2007) (accepted version).
Contact mechanics of real vs. randomly rough surfaces
C. Campana and M. H. Müser,
Contact mechanics of real vs. randomly rough surfaces: A Green’s function molecular dynamics study,
Europhys. Lett. 77, 38005 (2007) (accepted version).
Computer simulations of undercooled fluids and glasses
K. Binder, D. Herzbach, J. Horbach, and M. H. Müser,
Computer simulations of undercooled fluids and glasses,
in Materials for Tomorrow, Eds. S. Gemming, M. Schreiber, and J.-B. Suck (Eds.), pp. 1-32 (Springer, Berlin, 2007).
Theoretical Aspects of Superlubricity
M. H. Müser,
Theoretical Aspects of Superlubricity,
in Fundamentals of Friction and Wear on the Nanoscale, E. Gnecco and E. Meyer (Eds.), pp. 177-200 (Springer, Berlin, 2007)
Theory and simulation of friction and lubrication
M. H. Müser,
Theory and simulation of friction and lubrication,
Lecture Notes in Physics 704, 65-104 (Springer, Berlin, 2006). (reprint, 3.5M).
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).
A generalization of the charge equilibration method for non-metallic materials
R. A. Nistor, J. G. Polihronov, M. H. Müser, and N. J. Mosey,
A generalization of the charge equilibration method for non-metallic materials,
J. Chem. Phys. 125, 094108 (2006). (accepted version); (auxiliary electronic material).
Practical Green’s function approach to the simulation of elastic, semi-infinite solids
C. Campana and M. H. Müser,
Practical Green’s function approach to the simulation of elastic, semi-infinite solids,
Phys. Rev. B 74, 075420 (2006) (accepted version).
selected for VJ Nanoscale Sci. & Technol., Vol. 14, Issue 10, 2006.
Possible explanation of the lambda-shape anomaly in polymer surface diffusion
D. Mukherji and M. H. Müser,
Possible explanation of the lambda-shape anomaly in polymer surface diffusion,
Phys. Rev. E 74, 010601 (2006). (accepted version).
On the orientation of lamellar block copolymer phases under shear
B. Fraser, C. Denniston, and M. H. Müser,
On the orientation of lamellar block copolymer phases under shear,
J. Chem. Phys. 124, 104902 (2006) (preprint).
Piezoelectric coefficients by molecular dynamics simulations in the constant stress ensemble: A case study of quartz
D. Herzbach and M. H. Müser,
Piezoelectric coefficients by molecular dynamics simulations in the constant stress ensemble: A case study of quartz,
Comput. Phys. Comm. 174 , 17-23 (2006).
( web-article from CPC, preprint.)
Reibung ohne Kontakt
M. H. Müser,
Reibung ohne Kontakt,
Physik Journal 5 (Nr. 7), 21-22 (2006).
Comparison of model potentials for molecular dynamics simulations of silica
D. Herzbach, K. Binder, and M. H. Müser,
Comparison of model potentials for molecular dynamics simulations of silica,
J. Chem. Phys. 123, 124711 (2005). (preprint).
Energy dissipation via quantum chemical hysteresis during high-pressure compression: A first-principles molecular dynamics study of phosphates
N. J. Mosey, T. K. Woo, and M. H. Müser,
Energy dissipation via quantum chemical hysteresis during high-pressure compression: A first-principles molecular dynamics study of phosphates,
Phys. Rev. B 72, 054124 (2005) (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: