Tailored material is necessary in many industrial applications since material properties directly determine the characteristics of components. However, the conventional trial and error approach is costly and time-consuming. Therefore, materials informatics is expected to overcome these drawbacks. Here, we show a new materials informatics approach applying the Ising model for solving discrete combinatorial optimization problems. In this study, the composition of the composite, aimed at developing a heat sink with three necessary properties: high thermal dissipation, attachability to Si, and a low weight, is optimized. We formulate an energy function equation concerning three objective terms with regard to the thermal conductivity, thermal expansion and specific gravity, with the composition variable and two constrained terms with a quadratic unconstrained binary optimization style equivalent to the Ising model and calculated by a simulated annealing algorithm. The composite properties of the composition selected from ten constituents are verified by the empirical mixture rule of the composite. As a result, an optimized composition with high thermal conductivity, thermal expansion close to that of Si, and a low specific gravity is acquired.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7862485 | PMC |
| http://dx.doi.org/10.1038/s41598-021-81243-2 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Thermodynamics and Modeling of Collective Effects in the Organic Ligand Shell of Colloidal Quantum Dots.
Acc Chem Res
January 2025
Department of Chemistry , University of California, Berkeley, California 94720, United States.
ConspectusColloidal nanocrystals are an interesting platform for studying the surface chemistry of materials due to their high surface area/volume ratios, which results in a large fraction of surface atoms. As synthesized, the surfaces of many colloidal nanocrystals are capped by organic ligands that help control their size and shape. While these organic ligands are necessary in synthesis, it is often desirable to replace them with other molecules to enhance their properties or to integrate them into devices.
View Article and Find Full Text PDFHigh Néel temperature and magnetism modulation in 2D pentagon-based XN (X = B, Al, and Ga) structures with spin-polarized non-metallic atoms.
Phys Chem Chem Phys
January 2025
College of Physics, Sichuan University, Chengdu, 610065, China.
Magnetic semiconductors with spin-polarized non-metallic atoms are usually overlooked in applications because of their poor performances in magnetic moments and under critical temperatures. Herein, magnetic characteristics of 2D pentagon-based XN (X = B, Al, and Ga) are revealed based on first-principles calculations. It was proven that XN structures are antiferromagnetic semiconductors with bandgaps of 2.
View Article and Find Full Text PDFInferring structure of cortical neuronal networks from activity data: A statistical physics approach.
PNAS Nexus
January 2025
Department of Mathematics, Aston University, Birmingham B4 7ET, United Kingdom.
Understanding the relation between cortical neuronal network structure and neuronal activity is a fundamental unresolved question in neuroscience, with implications to our understanding of the mechanism by which neuronal networks evolve over time, spontaneously or under stimulation. It requires a method for inferring the structure and composition of a network from neuronal activities. Tracking the evolution of networks and their changing functionality will provide invaluable insight into the occurrence of plasticity and the underlying learning process.
View Article and Find Full Text PDFEffects of Temperature and Random Forces in Phase Transformation of Multi-Stable Systems.
Entropy (Basel)
December 2024
Department of Civil, Environmental, Land, Building Engineering and Chemistry (DICATECh), Polytechnic University of Bari, Via Orabona 4, 70125 Bari, Italy.
Multi-stable behavior at the microscopic length-scale is fundamental for phase transformation phenomena observed in many materials. These phenomena can be driven not only by external mechanical forces but are also crucially influenced by disorder and thermal fluctuations. Disorder, arising from structural defects or fluctuations in external stimuli, disrupts the homogeneity of the material and can significantly alter the system's response, often leading to the suppression of cooperativity in the phase transition.
View Article and Find Full Text PDFPerturbational Decomposition Analysis for Quantum Ising Model with Weak Transverse Fields.
Entropy (Basel)
December 2024
Institute of Quantum Precision Measurement, State Key Laboratory of Radio Frequency Heterogeneous Integration, Shenzhen University, Shenzhen 518060, China.
This work presents a perturbational decomposition method for simulating quantum evolution under the one-dimensional Ising model with both longitudinal and transverse fields. By treating the transverse field terms as perturbations in the expansion, our approach is particularly effective in systems with moderate longitudinal fields and weak to moderate transverse fields relative to the coupling strength. Through systematic numerical exploration, we characterize parameter regimes and evolution time windows where the decomposition achieves measurable improvements over conventional Trotter decomposition methods.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!