Article
Construction & Building Technology
Waleska Barbosa, Tulio Honorio
Summary: This study investigates the structure and properties of triclinic tricalcium silicate, providing valuable data for understanding the contribution of polymorphs in cement systems.
CEMENT AND CONCRETE RESEARCH
(2022)
Article
Construction & Building Technology
Tulio Honorio, Helena Carasek, Oswaldo Cascudo
Summary: In this study, molecular simulations were performed to compute the physical properties of Friedel's salt and provide the temperature-dependent thermoelastic properties. These findings are important for the application of Friedel's salt data in multiscale modeling.
CEMENT AND CONCRETE RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
Sora-at Tanusilp, Masaya Kumagai, Yuji Ohishi, Hideki Furusawa, Motoomi Suwabe, Ken Kurosaki
Summary: In this study, a highly dense bulk sample of ZrW2O8 was synthesized using spark plasma sintering technique, and its thermal conductivity, mechanical properties, and other physical properties were investigated. It was found that ZrW2O8 exhibited unique thermal properties and could be potentially used in thermal management areas.
ADVANCED ENGINEERING MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Xuemei Song, Yi Ding, Jimei Zhang, Caifen Jiang, Ziwei Liu, Chucheng Lin, Wei Zheng, Yi Zeng
Summary: This study investigates the effect of phase composition and microstructure on the thermophysical and mechanical properties of Yttrium-stabilized zirconia (YSZ) materials. The results show that YSZ materials with cubic (c-YSZ) phase are more suitable as thermal barrier coatings (TBCs) due to their superior heat insulation, thermal expansion match, and strain tolerance. The c-YSZ phase also has lower thermal conductivity and greater lattice distortion, oxygen vacancies, and sound velocity due to Y2O3 doping. Additionally, the c-YSZ phase exhibits lower elastic modulus, better malleability and plasticity, while the tetragonal (t-YSZ) phase has better fracture toughness.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Review
Materials Science, Multidisciplinary
Yuzhu Song, Naike Shi, Shiqing Deng, Xianran Xing, Jun Chen
Summary: The review summarizes the progress in magnetic NTE materials from Invar alloys to newly discovered materials like Mn-based antiperovskites, Laves phases, La(Fe, Si)13, Mn3Ge, R2Fe17, R(Fe,V)12, and R2Fe14B (R = rare earth elements). The NTE properties of magnetic materials can be controlled by adjusting magnetic exchange interaction through methods like chemical substitution, nanocrystallization, external field, and interstitial atoms. The main mechanisms of NTE of magnetic materials, including order-to-disorder transition, change of local moment, metamagnetic transition, short-range magnetic ordering, structural phase transition, and coexistence of magnetic phases, are summarized.
PROGRESS IN MATERIALS SCIENCE
(2021)
Article
Materials Science, Ceramics
Ruqiao Dai, Renfei Cheng, Jiemin Wang, Chao Zhang, Cuiyu Li, Hailong Wang, Xiaohui Wang, Yanchun Zhou
Summary: Willemite Zn2SiO4 has a unique crystallographic configuration with parallel tunnels, which gives it interesting elastic and thermal properties. Its properties make it useful in various fields of ceramics.
JOURNAL OF ADVANCED CERAMICS
(2022)
Article
Materials Science, Multidisciplinary
Tatiana Naomi Yamamoto Silva, Alexandre F. Fonseca
Summary: In this study, the elastocaloric effect in carbon nanotubes (CNTs) is investigated using molecular dynamics simulations. The results show that CNTs exhibit efficient cooling performance and can work effectively over a large temperature range.
Article
Materials Science, Ceramics
Shingo Urata, Rikiya Kado
Summary: Coefficient of thermal expansion (CTE) is an important property to consider when using oxide glasses. The addition of alumina can improve the durability of the glasses, but also cause nonlinear variation in CTE. In this study, we used MD simulations to investigate the relationship between CTE and the microstructure of sodium alkaline-earth aluminosilicate glasses.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Ziqiang Wang, Miaosen Yu, Chen Yang, Xuehao Long, Ning Gao, Zhongwen Yao, Limin Dong, Xuelin Wang
Summary: This study investigated the influence of radiation defects on the thermo-mechanical properties of UO2 using molecular dynamics method, finding that Frenkel pairs and antisite defects lead to reduced thermal expansion coefficient and linear decrease in elastic modulus at finite temperatures.
Article
Chemistry, Physical
Bohayra Mortazavi, Ali Rajabpour, Xiaoying Zhuang, Timon Rabczuk, Alexander Shapeev
Summary: This study investigates the thermal expansion of carbon-based nanosheets using machine-learning interatomic potentials (MLIPs), showing that passively trained MLIPs can accurately simulate the thermal expansion of complex nanomembranes. The results demonstrate that the methodology based on passively trained MLIPs is computationally efficient and versatile for accurately examining the thermal expansion of complex and novel materials and compositions using molecular dynamics simulations.
Article
Materials Science, Ceramics
M. Alejandra Mazo, Juan Rubio
Summary: Highly densified SiOC/spodumene composites with low CTE were achieved by selecting the appropriate spark plasma sintering temperature. Spodumene, a cheap and readily available lithium aluminium silicate mineral, was proposed for the first time as a meltable/active filler for SiOC-derived composites due to its powerful fluxing properties and very low CTE.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Ceramics
T. Z. Todorova, D. Boyd
Summary: The elastic properties and thermal expansion coefficients of binary and ternary high borate glass networks were studied from first principles. It was found that with increases in boron content, the elastic moduli decrease, while the presence of Sr in Rb-borate networks leads to a sudden increase of the moduli, closely following rules of mixtures. Thermal expansion coefficients for the studied systems are in the range of experimentally known Rb-borates.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Nanoscience & Nanotechnology
Rafael Oliveira Fleming, Sofia Goncalves, Amin Davarpanah, Iliya Radulov, Lukas Pfeuffer, Benedikt Beckmann, Konstantin Skokov, Yang Ren, Tianyi Li, John Evans, Joao Amaral, Rafael Almeida, Armandina Lopes, Goncalo Oliveira, Joao Pedro Araujo, Arlete Apolinario, Joao Horta Belo
Summary: This study demonstrates that the size and strain tuning of LaFe11.4Mn0.27Si1.29Hx alloys through ball-milling effectively broadens the temperature range of negative thermal expansion and suppresses its peak.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Abigail L. Eaton, Marco Fielder, Arun K. Nair
Summary: Carbon-based low-dimensional materials, such as carbyne, have great potential for applications in nanodevices due to their impressive transport and mechanical properties. Through computational methods, we investigated the mechanical and thermal properties of different carbon structures and found that carbyne exhibits the highest thermal conductivity and requires the largest force to fracture. We also explored its applicability as a component of a Cu-based electrode and discovered that carbyne has higher thermal conductivity compared to other structures.
Article
Chemistry, Multidisciplinary
Navkiran Juneja, Nicole M. Shapiro, Daniel K. Unruh, Eric Bosch, Ryan H. Groeneman, Kristin M. Hutchins
Summary: This study demonstrates the control of thermal expansion behavior in solid materials using a mixed cocrystal approach, where the ability of acceptor molecules to undergo dynamic motion is systematically varied.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)