Zobrazeno 1 - 10
of 486
pro vyhledávání: '"Van Der Ven, Anton"'
We describe a first-principles statistical mechanics method to calculate the free energies of crystalline alloys that depend on temperature, composition, and strain. The approach relies on an extension of the alloy cluster expansion to include an exp
Externí odkaz:
http://arxiv.org/abs/2310.20085
Autor:
Ober, Derick E., Van der Ven, Anton
This work demonstrates how first-principles thermodynamic research within a Bayesian framework can quantify and propagate uncertainties to downstream thermodynamic calculations. To address the issue of Bayesian prior selection, knowledge of zero Kelv
Externí odkaz:
http://arxiv.org/abs/2309.12255
Monte Carlo techniques play a central role in statistical mechanics approaches for connecting macroscopic thermodynamic and kinetic properties to the electronic structure of a material. This paper describes the implementation of Monte Carlo technique
Externí odkaz:
http://arxiv.org/abs/2309.11761
The most promising solid electrolytes for all-solid-state Li batteries are oxide and sulfide ceramics. Current ceramic solid electrolytes are brittle and lack the toughness to withstand the mechanical stresses of repeated charge and discharge cycles.
Externí odkaz:
http://arxiv.org/abs/2302.09434
Autor:
Meynell, Simon A., Eggeler, Yolita M., Bocarsly, Joshua D., Kitchaev, Daniil A., Rhodes, Bailey E., Pollock, Tresa M., Wilson, Stephen D., Van der Ven, Anton, Seshadri, Ram, De Graef, Marc, Jayich, Ania Bleszynski, Gianola, Daniel S.
Magnetic skyrmions are topologically-protected spin textures that manifest in certain non-centrosymmetric ferromagnets under the right conditions of temperature and field. In thin film skyrmion hosts, demagnetization effects combined with geometric c
Externí odkaz:
http://arxiv.org/abs/2212.00931
The identification of materials supporting complex, tunable magnetic order at ambient temperatures is foundational to the development of new magnetic device architectures. We report the design of Mn2XY tetragonal inverse Heusler alloys that are capab
Externí odkaz:
http://arxiv.org/abs/2109.11423
Autor:
Zuo, Julia L., Kitchaev, Daniil, Schueller, Emily C., Bocarsly, Joshua D., Seshadri, Ram, Van der Ven, Anton, Wilson, Stephen D.
Publikováno v:
Phys. Rev. Materials 5, 054410 (2021)
We report the feasibility of using magnetoentropic mapping for the rapid identification of magnetic cycloid and skyrmion phases in uniaxial systems, based on the GaV4S8 and GaV4Se8 model skyrmion hosts with easy-axis and easy-plane anisotropies respe
Externí odkaz:
http://arxiv.org/abs/2107.02953
Publikováno v:
In Acta Materialia 1 March 2024 266
Publikováno v:
Phys. Rev. Materials 5, 073604 (2021)
The high solubility of oxygen in Ti, Zr and Hf makes it difficult to stabilize the protective oxide scales on their surfaces as the subsurface regions can serve as boundless sinks that continuously dissolve oxygen. Alloying elements are crucial to re
Externí odkaz:
http://arxiv.org/abs/2103.11490
Autor:
Goiri, Jon Gabriel, Van der Ven, Anton
Extended defects in crystals, such as dislocations, stacking faults and grain boundaries, play a crucial role in determining a wide variety of materials properties. Extended defects can also lead to novel electronic properties in two-dimensional mate
Externí odkaz:
http://arxiv.org/abs/2011.10734