Here, the nuclear embeddingseZcontain information about the ground state electron configuration of each element and the electronic embeddingseQandeScontain delocalized information about the total charge and spin state, respectively. A chain ofTinteraction modules iteratively refines these representations through...
By using density functional theory, we have explored the structural, electro-mechanical, thermophysical and thermoelectric properties of CoZrSi and CoZrGe Heusler alloys. The ground state stability was determined by optimising the energy in various confi
The fact that electronic configuration of elements does not have the same structure in their ground state and in the metallic lattice, while the latter responds with volcano plots for various physical and chemical properties (Fig. 1) including catalysis, tells that the substance is in such an ...
Earlier layers detect simple features, such as color, while a subsequent layer might recognize shapes and elements. Two-dimensional configurations of CNNs are more common, but one-dimensional CNNs have also proven useful (O’Shea & Nash, 2015). 1.5.3 Long short-term memory (LSTM) Long ...
The Davies electron–nuclear double resonance (ENDOR) spectrum is well-modeled using a single class of hyperfine-coupled 59Co nuclei with a modestly strong interaction (principal elements of the hyperfine tensor are equal to [−20(±2), 77(±1), −5(±15)] MHz). Mims 1H ENDOR spectra...
High-entropy materials (HEMs) hold promise for a variety of applications because their properties can be readily tailored by selecting specific elements and altering stoichiometry. In this Perspective, we highlight the emerging potential of HEMs in energy and electronic applications. We place particular...
Small-core multiconfiguration-Dirac–Hartree–Fock-adjusted pseudopotentials for post-d main group elements: Application to PbH and PbO Relativistic pseudopotentials (PPs) of the energy-consistent variety have been generated for the post-dgroup 13–15 elements, by adjustment to multiconfigu... Metz...
The use of grounded passive elements makes this realization suitable for monolithic integration. The presented circuit does not have any requirement of matched passive elements. Under non ideal conditions the behavior of proposed configuration is found un-deviated. To verify the mathematical analysis, ...
The development of stretchable electronic devices is a critical area of research for wearable electronics, particularly electronic textiles (e-textiles), where electronic devices embedded in clothing need to stretch and bend with the body. While stretcha
cmNaeeuvnsete,rotrhefsesplpees-csd-, the extra-nuclear electronic assignment for the e/a-ratio configuration calculation in of TMs in the periodic table is Hume-Rothery rule is adopted daesftihneiteu6s7u. aBlevsaidleensc, ewseonf othtiececothnasttit(ue/ean)ti elements32,47,68. ...