Zobrazeno 1 - 10
of 134
pro vyhledávání: '"Rémi Dingreville"'
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-13 (2024)
Abstract Finding alloys with specific design properties is challenging due to the large number of possible compositions and the complex interactions between elements. This study introduces a multi-objective Bayesian optimization approach guiding mole
Externí odkaz:
https://doaj.org/article/84151a0e7249455f9cb54ba0a10aa2ad
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-14 (2024)
Abstract Materials simulations based on direct numerical solvers are accurate but computationally expensive for predicting materials evolution across length- and time-scales, due to the complexity of the underlying evolution equations, the nature of
Externí odkaz:
https://doaj.org/article/6da11ea4e1c24b6d83638be23b0a7844
Autor:
Daniel Vizoso, Rémi Dingreville
Publikováno v:
Data in Brief, Vol 55, Iss , Pp 110689- (2024)
This dataset is comprised of a library of atomistic structure files and corresponding X-ray diffraction (XRD) profiles and vibrational density of states (VDoS) profiles for bulk single crystal silicon (Si), gold (Au), magnesium (Mg), and iron (Fe) wi
Externí odkaz:
https://doaj.org/article/4eab99be3e6b48bdac0b3c3a2ab1d280
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-16 (2023)
Abstract Recent developments integrating micromechanics and neural networks offer promising paths for rapid predictions of the response of heterogeneous materials with similar accuracy as direct numerical simulations. The deep material network is one
Externí odkaz:
https://doaj.org/article/2d7d175801aa40f29c4de9f948289b87
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-13 (2022)
Abstract Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost of
Externí odkaz:
https://doaj.org/article/48b877fa6c20433d84313024f47ceeb5
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-11 (2021)
Abstract Silicon-based layered nanocomposites, comprised of covalent-metal interfaces, have demonstrated elevated resistance to radiation. The amorphization of the crystalline silicon sublayer during irradiation and/or heating can provide an addition
Externí odkaz:
https://doaj.org/article/11c0a6f284d542c09302fca0b664d055
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-9 (2021)
Abstract Diffraction techniques can powerfully and nondestructively probe materials while maintaining high resolution in both space and time. Unfortunately, these characterizations have been limited and sometimes even erroneous due to the difficulty
Externí odkaz:
https://doaj.org/article/3cd3950f2ddd406b92a130b336fb6701
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)
Abstract During the various stages of shock loading, many transient modes of deformation can activate and deactivate to affect the final state of a material. In order to fundamentally understand and optimize a shock response, researchers seek the abi
Externí odkaz:
https://doaj.org/article/91779ea0120d4b65b9f7530a78bc5464
Autor:
Saaketh Desai, Rémi Dingreville
Publikováno v:
Materials & Design, Vol 219, Iss , Pp 110815- (2022)
Designing next generation thin films tailor-made for specific applications relies on the availability of robust process-structure-property relationships. Traditional structure zone diagrams that relate one or two deposition conditions to microstructu
Externí odkaz:
https://doaj.org/article/8c933e07a4e1415bb53483517cb197fb
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-11 (2021)
Abstract The phase-field method is a powerful and versatile computational approach for modeling the evolution of microstructures and associated properties for a wide variety of physical, chemical, and biological systems. However, existing high-fideli
Externí odkaz:
https://doaj.org/article/5364a3d9c8394b509924926f4946716f