اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدHigh-Throughput Rapid Experimental Alloy Development (HT-READ)
121
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
The current bulk materials discovery cycle has several inefficiencies from initial computational predictions through fabrication and analyses. Materials are generally evaluated in a singular fashion, relying largely on human-driven compositional choices and analysis of the volumes of generated data, thus also slowing validation of computational models. To overcome these limitations, we developed a high-throughput rapid experimental alloy development (HT-READ) methodology that comprises an integrated, closed-loop material screening process inspired by broad chemical assays and modern innovations in automation. Our method is a general framework unifying computational identification of ideal candidate materials, fabrication of sample libraries in a configuration amenable to multiple tests and processing routes, and analysis of the candidate materials in a high-throughput fashion. An artificial intelligence agent is used to find connections between compositions and material properties. New experimental data can be leveraged in subsequent iterations or new design objectives. The sample libraries are assigned unique identifiers and stored to make data and samples persistent, thus preventing institutional knowledge loss.
قيم البحث
اقرأ أيضاً
We have experimentally studied the effects on the spin Hall angle due to systematic addition of Pt into the light metal Cu. We perform spin torque ferromagnetic resonance measurements on Py/CuPt bilayer and find that as the Pt concentration increases
, the spin Hall angle of CuPt alloy increases. Moreover, only 28% Pt in CuPt alloy can give rise to a spin Hall angle close to that of Pt. We further extract the spin Hall resistivity of CuPt alloy for different Pt concentrations and find that the contribution of skew scattering is larger for lower Pt concentrations, while the side-jump contribution is larger for higher Pt concentrations. From technological perspective, since the CuPt alloy can sustain high processing temperatures and Cu is the most common metallization element in the Si platform, it would be easier to integrate the CuPt alloy based spintronic devices into existing Si fabrication technology.
Element-selective techniques are central for the understanding of ultrafast spin dynamics in multi-element materials like magnetic alloys. Recently, though, it turned out that the commonly used technique of transverse magneto-optical Kerr effect (T-M
OKE) in the EUV range may have linearity issues including unwanted cross talk between different elemental signals. This problem can be sizeable, which puts recent observations of ultrafast spin transfer from Fe to Ni sites in FeNi alloys into question. In this study, we investigate the Fe-to-Ni spin transfer in a cross-talk-free time-resolved X-ray magnetic circular dichroism (XMCD) experiment with a reliable time reference. We find a very similar Fe and Ni dynamics with XMCD as with T-MOKE from identical samples. Considering the non-linearities of the T-MOKE response, the agreement with our findings appears fortuitous. We discuss possible reasons why T-MOKE seems to give accurate results in this case. Our data provide the ongoing discussion about ultrafast spin-transfer mechanisms in FeNi systems with a sound experimental basis.
The discoveries of intrinsically magnetic topological materials, including semimetals with a large anomalous Hall effect and axion insulators, have directed fundamental research in solid-state materials. Topological quantum chemistry has enabled the
understanding of and the search for paramagnetic topological materials. Using magnetic topological indices obtained from magnetic topological quantum chemistry (MTQC), here we perform a high-throughput search for magnetic topological materials based on first-principles calculations. We use as our starting point the Magnetic Materials Database on the Bilbao Crystallographic Server, which contains more than 549 magnetic compounds with magnetic structures deduced from neutron-scattering experiments, and identify 130 enforced semimetals (for which the band crossings are implied by symmetry eigenvalues), and topological insulators. For each compound, we perform complete electronic structure calculations, which include complete topological phase diagrams using different values of the Hubbard potential. Using a custom code to find the magnetic co-representations of all bands in all magnetic space groups, we generate data to be fed into the algorithm of MTQC to determine the topology of each magnetic material. Several of these materials display previously unknown topological phases, including symmetry-indicated magnetic semimetals, three-dimensional anomalous Hall insulators and higher-order magnetic semimetals. We analyse topological trends in the materials under varying interactions: 60 per cent of the 130 topological materials have topologies sensitive to interactions, and the others have stable topologies under varying interactions. We provide a materials database for future experimental studies and open-source code for diagnosing topologies of magnetic materials.
On the basis of local nonequilibrium approach, the one-dimensional model of the solute diffusion during rapid solidification of the binary alloy in the semi-infinite volume is considered. Within the scope of the model it is supposed that mass transpo
rt is described by the telegrapher equation. The basic assumption concerns the behavior of the diffusion flux and the solute concentration at the interface. Under the condition that these quantities are given by the superposition of the exponential functions the solutions of the telegrapher equation determining the flux and the solute distributions in the melt have been found. On the basis of these solutions different regimes of the solidification in the near surface region and the behavior of the partition coefficient have been investigated. The concentration profiles in the solid after complete solidification are analyzed depending on the model parameters.
We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt host lattices have been determined us
ing multi-frequency diffusion models. We apply a correction method for solute diffusion in alloys using experimental and simulated values of host self-diffusivity. We find good agreement with experimental solute diffusion data, obtaining a weighted activation barrier RMS error of 0.176 eV when excluding magnetic solutes in non-magnetic alloys. The compiled database is the largest collection of consistently calculated ab-initio solute diffusion data in the world.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
