Zobrazeno 1 - 10
of 14
pro vyhledávání: '"J Magnus, Rahm"'
Autor:
Erik Fransson, Petter Rosander, Fredrik Eriksson, J. Magnus Rahm, Terumasa Tadano, Paul Erhart
Publikováno v:
Communications Physics, Vol 6, Iss 1, Pp 1-7 (2023)
Abstract The soft modes associated with continuous-order phase transitions are associated with strong anharmonicity. This leads to the overdamped limit where the phonon quasi-particle picture can break down. However, this limit is commonly restricted
Externí odkaz:
https://doaj.org/article/48e26d52d907436ba13a0e358e5bc92f
Autor:
Pernilla Ekborg-Tanner, J. Magnus Rahm, Victor Rosendal, Maria Bancerek, Tuomas P. Rossi, Tomasz J. Antosiewicz, Paul Erhart
Publikováno v:
ACS Applied Nano Materials. 5:10225-10236
Pd nanoalloys show great potential as hysteresis-free, reliable hydrogen sensors. Here, a multi-scale modeling approach is employed to determine optimal conditions for optical hydrogen sensing using the Pd-Au-H system. Changes in hydrogen pressure tr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8305b9106c63f26a30a169dcc1a13c3
https://doi.org/10.1021/acsanm.2c01189
https://doi.org/10.1021/acsanm.2c01189
Autor:
Paul, Erhart, J Magnus, Rahm
Publikováno v:
Nature materials.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::a110521ccaff873aa95f7d9b7914d0de
https://pubmed.ncbi.nlm.nih.gov/36443575
https://pubmed.ncbi.nlm.nih.gov/36443575
Autor:
Zheyong Fan, Yanzhou Wang, Penghua Ying, Keke Song, Junjie Wang, Yong Wang, Zezhu Zeng, Ke Xu, Eric Lindgren, J. Magnus Rahm, Alexander J. Gabourie, Jiahui Liu, Haikuan Dong, Jianyang Wu, Yue Chen, Zheng Zhong, Jian Sun, Paul Erhart, Yanjing Su, Tapio Ala-Nissila
We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2021)] and their implementation in the open-source package GPUMD. We in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::232df27d9f853c2aac01ccd4e7158cc0
https://aaltodoc.aalto.fi/handle/123456789/117274
https://aaltodoc.aalto.fi/handle/123456789/117274
Alloying offers a way to tune many of the properties of the transition metal dichalcogenide (TMD) monolayers. While these systems in many cases have been thoroughly investigated previously, the fundamental understanding of critical temperatures, phas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c8460a9f57ef0b03393ac161e43b7d3
Publikováno v:
Chemphyschem : a European journal of chemical physics and physical chemistry. 21(21)
We present quantum mechanical estimates for non-bonded, van der Waals-like, radii of 93 atoms in a pressure range from 0 to 300 gigapascal. Trends in radii are largely maintained under pressure, but atoms also change place in their relative size orde
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f30b930625047c8a7e05cba7d64388bb
https://pubmed.ncbi.nlm.nih.gov/32896974
https://pubmed.ncbi.nlm.nih.gov/32896974
We report a comprehensive study of aqueous halide adsorption on nanoparticles of gold and palladium that addresses several limitations hampering the use of atomistic modeling as a tool for understanding and improving wet-chemical synthesis and relate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::009dbca416d1cb6781c3ca6ffe350341
http://arxiv.org/abs/2006.07068
http://arxiv.org/abs/2006.07068
Autor:
Paul Erhart, Sara Nilsson, Ferry Anggoro Ardy Nugroho, Christopher Tiburski, J. Magnus Rahm, Christoph Langhammer, Tuomas P. Rossi
Publikováno v:
Advanced Functional Materials (1616-301X) vol.30(2020)
Advanced Functional Materials
Advanced Functional Materials
Accurate complex dielectric functions are critical to accelerate the development of rationally designed metal alloy systems for nanophotonic applications, and to thereby unlock the potential of alloying for tailoring nanostructure optical properties.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a0aa4d6134fafb6478166c4d2311048
https://research.chalmers.se/en/publication/517367
https://research.chalmers.se/en/publication/517367
Autor:
Paul Erhart, J. Magnus Rahm
Publikováno v:
The Journal of Physical Chemistry C. 122:28439-28445
Bimetallic nanoparticles are highly relevant for applications in, e.g., catalysis, sensing, and energy harvesting. Their properties are determined by their shape, size, and, most notably, their chemical configuration, i.e., the elemental distribution
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1e50d456876177a4e7028cd60653534
https://doi.org/10.1021/acs.jpcc.8b10874
https://doi.org/10.1021/acs.jpcc.8b10874
Autor:
J. Magnus Rahm, Paul Erhart
Publikováno v:
Nano Letters. 17:5775-5781
In the pursuit of complete control over morphology in nanoparticle synthesis, knowledge of the thermodynamic equilibrium shapes is a key ingredient. While approaches exist to determine the equilibrium shape in the large size limit (≳10-20 nm) as we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c059deecf68c86c0d3989e0f246be6ef
https://doi.org/10.1021/acs.nanolett.7b02761
https://doi.org/10.1021/acs.nanolett.7b02761