Communications Materials最新文献

{"title":"Automated chain architecture screening for discovery of block copolymer assembly with graph enhanced self-consistent field theory","authors":"Yuchen Zhang, Weiling Huang, Yi-Xin Liu","doi":"10.1038/s43246-024-00723-w","DOIUrl":"10.1038/s43246-024-00723-w","url":null,"abstract":"The diverse chain architectures of block copolymers makes them important for exploring new self-assembly, but poses significant challenges for identifying the stability windows of desired mesophases within the vast parameter space. Here, we present an automated workflow for screening chain architectures to discover new self-assembly. Utilizing graph-enhanced self-consistent field theory complemented by a scattering-based identification strategy, our approach enables the automated computation of arbitrary chain architectures and their phase behavior. This framework successfully identifies stable windows for a novel PtS phase in AB-type block copolymer melts, with two distinct chain architectures emerging from the screening process. Our findings demonstrate the utility of this method in stabilizing desired self-assembly and exploring new mesophases. The flexibility of our approach allows for straightforward extension to multi-species and multi-component systems and further integration with metaheuristic optimization techniques to enhance its potential for materials design. Block copolymers have diverse chain architectures which self-assemble in many ways makes it difficult to identify the stability windows of the mesophases. Here, an automated workflow using graph-enhanced self-consistent field theory allows for computation of arbitrary chain architectures and their phase behavior.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-7"},"PeriodicalIF":7.5,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00723-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142862404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A high-temperature multiferroic Tb2(MoO4)3","authors":"Shimon Tajima, Hidetoshi Masuda, Yoichi Nii, Shojiro Kimura, Yoshinori Onose","doi":"10.1038/s43246-024-00717-8","DOIUrl":"10.1038/s43246-024-00717-8","url":null,"abstract":"Magnetoelectric mutual control in multiferroics, which is the electric control of magnetization, or reciprocally the magnetic control of polarization has attracted much attention because of its possible applications to spintronic devices, multi-bit memories, and so on. While the required working temperature for the practical application is much higher than room temperature, which ensures stable functionality at room temperature, the reported working temperatures were at most around room temperature. Here, we demonstrated magnetic control of ferroelectric polarization at 432 K in ferroelectric and ferroelastic Tb2(MoO4)3, in which the polarity of ferroelectric polarization is coupled to the orthorhombic strain below the transition temperature 432 K. The paramagnetic but strongly magnetoelastic Tb3+ magnetic moments enable the magnetic control of ferroelectric and ferroelastic domains; the ferroelectric polarization is controlled depending on whether the magnetic field is applied along [110] or [1 $$bar{1}$$ 0]. This result may pave a new avenue for designing high-temperature multiferroics. The mutual control of magnetization and polarization in multiferroics is key to spintronic devices, but ensuring its stability at room temperature is essential for practical applications. Here, magnetic control of ferroelectric polarization in Tb2(MoO4)3 is demonstrated up to 432 K, ensuring the stability of magnetoelectric effect well above room temperature.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-6"},"PeriodicalIF":7.5,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00717-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142862459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Author Correction: Additive manufacturing of a high-performance aluminum alloy from cold mechanically derived non-spherical powder","authors":"J. Hunter Martin, John E. Barnes, Kirk A. Rogers, Jacob Hundley, Darby L. LaPlant, Siavash Ghanbari, Jung-Ting Tsai, David F. Bahr","doi":"10.1038/s43246-024-00715-w","DOIUrl":"10.1038/s43246-024-00715-w","url":null,"abstract":"","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-1"},"PeriodicalIF":7.5,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00715-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142798572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Strategies to achieve reproducible synthesis of phase-pure Zr-porphyrin metal-organic frameworks","authors":"Karina Hemmer, Hanna L. B. Boström, Simon Krause, Bettina V. Lotsch, Roland A. Fischer","doi":"10.1038/s43246-024-00690-2","DOIUrl":"10.1038/s43246-024-00690-2","url":null,"abstract":"Porphyrin-based metal-organic frameworks (MOFs) are gaining traction for various applications due to their sorption, optoelectronic and catalytic properties. MOFs with Zr-based nodes constitute a particularly robust and versatile class of MOFs in which incorporation of metals into the porphyrin core allows further tuning of their physico-chemical properties. However, significant challenges regarding the phase-pure synthesis of Zr-porphyrin MOFs have slowed down progress in the field. Synthetic challenges in targeted phase formation originate from the densely populated phase space, due to energetically similar framework topologies accessible from the same building blocks, but also from the lack of detailed synthetic information. This Perspective discusses different synthetic approaches and detailed synthesis investigations to gain a deeper understanding while providing strategies towards suitable conditions to access phase-pure Zr-porphyrin MOFs. Transparent data reporting and holistic consideration of synthetic factors may allow for better control of these aspects. This is crucial for the establishment of structure–property relationships in such materials and will facilitate the realisation of their application potential. Synthesizing phase-pure zirconium-porphyrin metal-organic frameworks is challenging. This Perspective discusses different synthetic approaches and investigations to guide conditions to achieve phase-pure zirconium-porphyrin metal-organic frameworks.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-9"},"PeriodicalIF":7.5,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00690-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142798606","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Photocontrol of ferroelectricity in multiferroic BiFeO3 via structural modification coupled with photocarrier","authors":"Kou Takubo, Atsushi Ono, Shunsuke Ueno, Samiran Banu, Hongwu Yu, Kaito En-ya, Ryota Nishimori, Makoto Kuwahara, Toru Asaka, Kei Maeda, Daiki Ono, Keita Ozawa, Takuma Itoh, Kei Shigematsu, Masaki Azuma, Tadahiko Ishikawa, Yoichi Okimoto, Masaki Hada, Shin-ya Koshihara","doi":"10.1038/s43246-024-00698-8","DOIUrl":"10.1038/s43246-024-00698-8","url":null,"abstract":"Ultrafast control of ferroelectricity and magnetism by light is essential for future development in multiple functioning devices. Here, we demonstrate that the intense and ultrafast photo-modulation of the electric dipole can be realized by photocarrier injection into a multiferroic BiFeO3 thin film using optical pump-probe and second harmonic generation measurements. Results of ultrafast electron diffraction with <100 fs time resolution and theoretical study reveal that the localized photocarrier strongly couples with the lattice structure and becomes the origin for the observed sudden change in the electric dipole. In addition, the subsequent structural dynamics involve a strong oscillation with a frequency of ~3.3 THz despite a poor structural symmetry change. Based on a theoretical calculation, this oscillation can be attributed to an unexpectedly softened new phonon mode generated by mixing essential two phonon modes governing the multiferroic (ferroelectric and antiferromagnetic) nature of BiFeO3 in the ground state due to strong coupling with a localized photocarrier. The comprehensive study shows that injection of the localized photocarrier strongly coupled with the lattice vibration mode can simultaneously realize the ultrafast switching of electric dipoles and magnetic interaction at once, even at room temperature, without modifying the long-range lattice structure. Ultrafast control of ferroelectricity and magnetism by light is essential for multifunctional devices. Here, photocarrier injection into multiferroic BiFeO3 thin films can simultaneously realize the ultrafast switching of electric dipoles and magnetic interaction due to the strong coupling between the localized photocarrier and lattice vibrations.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-9"},"PeriodicalIF":7.5,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00698-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exotic ferroelectricity in strained BaZrS3 chalcogenide perovskite for photovoltaics","authors":"Alireza Yaghoubi, Robert Patterson, Xiaojing Hao","doi":"10.1038/s43246-024-00705-y","DOIUrl":"10.1038/s43246-024-00705-y","url":null,"abstract":"Ferroelectricity in solar cells is credited with a multitude of benefits, including improved charge carrier separation and higher than band gap device voltages, however most ferroelectrics are wide-gap materials that generate very little photocurrent. Some halide perovskites are ferroelectric, but they suffer from degradation, despite their otherwise excellent performance. Recently, BaZrS3, a chalcogenide perovskite has received attention due to its optimal band gap, non-toxicity, and superior stability. The ground state of BaZrS3 is reportedly a GdFeO3-type distorted perovskite (space group Pnma). Here, using first-principle calculations, we show that the polar Pna21 is thermodynamically as stable as Pnma. This new phase is weakly ferroelectric, exhibiting a net polarization of 0.27 µC/cm2 and a d33 piezoelectric coefficient of only ~1 pm/V. Under strain, the interplay between out-of-plane and in-plane octahedral tilts amplifies spontaneous polarization, spin splitting, and large polaron radii. These exotic traits are comparable to those of the popular halide perovskites. Ferroelectricity in solar cells can improve charge carrier separation and provide higher than bandgap device voltages. Here, first-principles calculations in strained BaZrS3 reveal ferroelectricity and exotic properties akin to halide perovskites for photovoltaics applications.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-9"},"PeriodicalIF":7.5,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00705-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Partially recrystallized microstructures expand the strength-toughness envelope of CrCoNi medium-entropy alloy","authors":"Connor E. Slone, Veronika Mazánová, Punit Kumar, David H. Cook, Milan Heczko, Qin Yu, Bryan Crossman, Easo P. George, Michael J. Mills, Robert O. Ritchie","doi":"10.1038/s43246-024-00704-z","DOIUrl":"10.1038/s43246-024-00704-z","url":null,"abstract":"Engineering materials exhibit an undesirable tradeoff between strength and resistance to crack propagation (fracture toughness). Here we demonstrate how this tradeoff can be circumvented by thermo-mechanical processing that produces a partially recrystallized, heterogeneous microstructure. An equimolar CrCoNi alloy was forged at room temperature (298 K) to produce high densities of three-dimensional crystallographic defect networks. Post-deformation heat treatments caused localized recrystallization that resulted in a bimodal microstructure with hard, non-recrystallized grains and soft, recrystallized grains. In this condition, the yield strength at 298 K is 2.75x the values previously obtained for the same alloy in the fully recrystallized state while the fracture toughness remains the same. The yield strength is further enhanced at 77 K without compromising the fracture toughness. This outstanding strength-toughness combination at 77 K exceeds those reported for other metallic materials and appears to result from the composite nature of the microstructure with non-recrystallized grains providing strength and recrystallized grains enabling plasticity that dissipates stresses during crack propagation. Our findings indicate that by tuning the degree of recrystallization through thermomechanical processing techniques, it will be possible to further expand the envelope bounding the strength and toughness of a range of structural metals at engineering component scales. Research into engineering alloys is often driven by the need to simultaneously improve strength and toughness. Here, an equimolar CrCoNi medium-entropy alloy achieves an almost three times increase in yield strength without sacrificing toughness, attributed to a partially recrystallized microstructure.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-10"},"PeriodicalIF":7.5,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00704-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phonon-assisted Casimir interactions between piezoelectric materials","authors":"Dai-Nam Le, Pablo Rodriguez-Lopez, Lilia M. Woods","doi":"10.1038/s43246-024-00701-2","DOIUrl":"10.1038/s43246-024-00701-2","url":null,"abstract":"The strong coupling between electromagnetic fields and lattice oscillations in piezoelectric materials gives rise to phonon polariton excitations. Such quasiparticles are important in modulating the ubiquitous Casimir force. Here by utilizing the generalized Born-Huang hydrodynamics model exemplified in SiC, three types of phonons are studied: longitudinal optical phonon, transverse optical phonon and phonon polariton. The Fresnel reflection coefficients for the piezoelectric composed of semi-infinite substrates or thin films are then obtained by taking into account the phonon-electromagnetic coupling. The Casimir interaction, calculated via a generalized Lifshitz approach, is examined to highlight the interplay between different types of phonon modes and electromagnetic excitations. Our study shows that piezoelectrics emerge as materials where this ubiquitous force can be controlled via phonon properties. Different types of surface phonon polaritons associated with structural polytypes may also be distinguished through the Casimir interaction. Strong coupling between electromagnetic fields and lattice oscillations in piezoelectric materials gives rise to interesting phonon polariton excitations. Here, the role of these modes in modulating the Casimir force of piezoelectric plates is investigated theoretically, expanding the range of materials where the Casimir interaction can be detected and controlled.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-7"},"PeriodicalIF":7.5,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00701-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758121","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultra-tough light-curing ionogels for UV shielding","authors":"Zeyu Zhang, Dejun Peng, Xueyan Shang, Xin Zhao, Shixue Ren, Jiuyin Pang, Shujun Li","doi":"10.1038/s43246-024-00702-1","DOIUrl":"10.1038/s43246-024-00702-1","url":null,"abstract":"The mechanical properties of polyurethane ionogels prepared by UV light-curing are usually inferior to those of conventional polyurethanes. Highly entangled polymer chain networks with chemical crosslinking can potentially address this problem. Here, we prepare ionogels (PU-HRs) using UV curing technology with esterified rutin as a cross-linking agent. After optimization of the preparation process by response surface methodology, we obtain PU-HRs with a tensile strength of 34.96 MPa and toughness as high as 88.11 MJ m−3 (1.26-fold higher than that of silk from the silkworm, Bombyx mori (70 MJ m−3)). The high strength and toughness of PU-HR are mainly attributed to the three-dimensional cross-linked network structure formed by the “rigid-flexible” esterified rutin, the micro-phase separation structure between the soft-chain fragments, and the hard-chain fragments that form stable interfacial regions. These ionogels have great prospects in sunscreen coating applications, such as for sunscreen umbrellas and automotive or architectural sunscreen glass. Polyurethane ionogels can be made with UV light curing but suffer from low mechanical properties compared to conventional polyurethane. Here, robust UV light curable ionogels are made by using prepolymers containing carbon-carbon double bonds as monomers which cross-links to form entangled polymer networks.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-12"},"PeriodicalIF":7.5,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00702-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142754215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advancements in operando X-ray techniques for metal additive manufacturing","authors":"Kaushalendra K. Singh, Akane Wakai, Atieh Moridi","doi":"10.1038/s43246-024-00699-7","DOIUrl":"10.1038/s43246-024-00699-7","url":null,"abstract":"Operando X-ray techniques have enabled real-time observation and analysis of metal additive manufacturing (AM) processes, providing invaluable insights into solidification mechanisms and melt pool behavior. In this perspective, we present the current state of the art in X-ray diffraction and imaging studies of laser-based metal AM processes, specifically Directed Energy Deposition and Powder Bed Fusion. We explore various data analyses that can be performed with time-resolved data, including phase identification, microstructural evolution, tracking melt pool behavior, and defect formation. Additionally, we highlight the limitations of existing operando studies and provide an outlook on overcoming these challenges. Additive manufacturing has emerged as a powerful approach for achieving properties that are not possible in conventionally processed alloys. This Perspective provides a state-of-art overview of the use of operando x-ray techniques for understanding solidification dynamics and melt pool behavior in additive processes.","PeriodicalId":10589,"journal":{"name":"Communications Materials","volume":" ","pages":"1-9"},"PeriodicalIF":7.5,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s43246-024-00699-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142754211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}