Journal of Materiomics最新文献

英文中文

Multirole collaborative and co-constructive materials design ecosystem enabled by using control and data flows decoupled workflows 通过使用分离的工作流控制和数据流，实现多角色协作和共同构建的材料设计生态系统

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-23 DOI: 10.1016/j.jmat.2026.101177

Bing He , Zhou Jiang , Kaixuan Wang , Qingbao Wang , Zhicong Lai , Yueyu Zhang , Maxim Avdeev , Siqi Shi

Data-driven approaches are attracting wide attention in the field of materials science due to their capacity to unravel complex structure-activity relationships deriving from nonlinear interplay of materials properties across multiple scales. However, unlocking their potential in materials discovery and design requires addressing two main challenges: multi-disciplinary knowledge barriers across the entire materials data lifecycle (acquisition, processing, and analysis), and the absence of an infrastructure that can accommodate the continuous proliferation of data volume, algorithms, and models. Here, we propose a multirole collaborative and co-constructive materials design ecosystem that restructures both the productive forces and the relations of production in materials design. By establishing a structured division of labor and a customized materials design infrastructure with a workflow system that decouples control and data flows, our framework reduces inter-module dependencies and enables the flexible, scalable integration of heterogeneous resources. A case study on electrochemical storage materials design demonstrates that this approach can improve streamlined collaborative efficiency by at least 50%, highlighting its potential to accelerate materials design. This work establishes a new paradigm for building intelligent materials design platforms, characterized by dynamic composability instead of static integration, thereby fostering an open and sustainable ecosystem for future materials discovery.

数据驱动的方法在材料科学领域引起了广泛的关注，因为它们能够揭示复杂的结构-活性关系，这些关系源于材料性质在多个尺度上的非线性相互作用。然而，要释放它们在材料发现和设计方面的潜力，需要解决两个主要挑战：跨越整个材料数据生命周期（获取、处理和分析）的多学科知识障碍，以及缺乏能够适应数据量、算法和模型持续增长的基础设施。在这里，我们提出了一个多角色协作和共同构建的材料设计生态系统，该生态系统重构了材料设计中的生产力和生产关系。通过建立结构化的劳动分工和定制的材料设计基础设施，以及分离控制和数据流的工作流系统，我们的框架减少了模块间的依赖，并使异构资源的灵活、可扩展集成成为可能。电化学存储材料设计的一个案例研究表明，这种方法可以将流线型协作效率提高至少50%，突出了其加速材料设计的潜力。这项工作为构建智能材料设计平台建立了一个新的范例，其特点是动态可组合性而不是静态集成，从而为未来的材料发现培育了一个开放和可持续的生态系统。

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引用次数: 0

Low read/write voltage and high endurance of the ferroelectric memory with Hf0.5Zr0.5O2 film 采用Hf0.5Zr0.5O2薄膜的铁电存储器具有低读写电压和高耐用性

IF 9.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-21 DOI: 10.1016/j.jmat.2026.101175

Hongdi Wu, Guodong Zhang, Junfeng Zheng, Xubing Lu, Jun-Ming Liu, Guoliang Yuan

引用次数: 0

AI-integrated multifunctional phase change e-skin: synergizing thermal management with multimodal sensing ai集成多功能相变电子皮肤：多模态传感协同热管理

IF 9.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-21 DOI: 10.1016/j.jmat.2026.101174

Xing Fan, Chuanyin Xiong, Yadong Su, Xianglin Ji, Yongkang Zhang

引用次数: 0

NaNbO3-based ultra-high energy storage ceramics with linear polarization 基于nanbo3的线极化超高储能陶瓷

IF 9.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-14 DOI: 10.1016/j.jmat.2026.101172

Shuting Pang, Xuhui Fan, Weiye Nie, Jian Guo, Wenwu Cao

引用次数: 0

From high-entropy ceramics to compositionally complex ceramics and beyond 从高熵陶瓷到成分复杂的陶瓷等等

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-14 DOI: 10.1016/j.jmat.2026.101173

Jian Luo

Over the past decade, the field of high-entropy ceramics (HECs) has expanded rapidly to encompass a broad range of oxides, borides, silicides, and other ceramic solid solutions. In 2020, we proposed extending HECs to compositionally complex ceramics (CCCs), where non-equimolar compositions and the presence of long- or short-range order, although reducing configurational entropy, create new opportunities to tailor and enhance properties, often surpassing those of higher-entropy counterparts. Along these lines, several fundamental scientific questions arise. Is the entropy in HECs truly high? Is maximizing entropy always desirable? In this perspective article, I revisit key concepts and terminologies and highlight emerging directions, including dual-phase CCCs, ultrahigh-entropy phases, and novel processing routes such as ultrafast reactive sintering. I propose that exploring compositional complexity across vast non-equimolar spaces, together with exploiting correlated disorder (coupled chemical and structural short-range order), represents a transformative strategy for designing ceramics with superior performance.

在过去的十年中，高熵陶瓷（HECs）领域迅速发展，涵盖了广泛的氧化物、硼化物、硅化物和其他陶瓷固溶体。在2020年，我们提出将HECs扩展到组成复杂陶瓷（CCCs），其中非等摩尔成分和长或短程有序的存在虽然降低了构型熵，但创造了新的机会来定制和增强性能，通常超过那些高熵的对应物。沿着这些思路，出现了几个基本的科学问题。hec中的熵真的很高吗？熵的最大化总是可取的吗？在这篇展望性的文章中，我回顾了关键的概念和术语，并强调了新兴的方向，包括双相CCCs，超高熵相和新的加工路线，如超快反应烧结。我建议在广阔的非等摩尔空间中探索成分的复杂性，以及开发相关无序（耦合化学和结构的短程有序），代表了设计具有卓越性能的陶瓷的变革策略。

引用次数: 0

Nanofiller orientation-enhanced electrocaloric effect: A case study of P(VDF-TrFE-CFE)/Ba0.67Sr0.33TiO3 composites 纳米填料取向增强的热效应：以P(VDF-TrFE-CFE)/Ba0.67Sr0.33TiO3复合材料为例

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-01 DOI: 10.1016/j.jmat.2025.101105

Cancan Shao , Xiaoming Shi , Ke Xu , Rongzhen Gao , Shiyu Tang , Zhaobo Liu , Houbing Huang

The exceptional breakdown field strength of polymers, combined with the large spontaneous polarization exhibited by inorganic ferroelectric materials, has led to continuous advancements in the records for the giant electrocaloric effect (ECE) in polymer composites enhanced by ferroelectric inorganic components. This study aims to investigate the ECE properties of P(VDF-TrFE-CFE)/Ba_0.67Sr_0.33TiO₃ (BST67) composites by analyzing the aspect ratio, composition ratio, and orientation of BST67 nanoparticles in conjunction with the P(VDF-TrFE-CFE) matrix. The results of the P–E loop calculations indicate that all three factors related to the BST67 nanoparticles enhance the ferroelectric polarization value of the composite material. This enhancement is attributed to the longer aspect ratio, higher composition ratio, and improved orientation, which enable the BST67 nanoparticles to achieve a greater electric field strength. The calculation of ΔT using the LGD method reveals that these three factors of BST67 can independently increase ΔT, and they exhibit a synergistic effect on the ECE performance of the ferroelectric polymer. Our conclusions provide valuable insights for future research on ECE in polymer/inorganic ferroelectric composites.

聚合物特殊的击穿场强，加上无机铁电材料表现出的大自发极化，导致铁电无机组分增强聚合物复合材料的巨电热效应（ECE）记录不断进步。本研究旨在通过分析BST67纳米颗粒与P（VDF-TrFE-CFE）基体的长宽比、组成比和取向，研究P(VDF-TrFE-CFE)/Ba0.67Sr0.33TiO3 （BST67）复合材料的ECE性能。P-E环计算结果表明，与BST67纳米颗粒相关的三个因素均增强了复合材料的铁电极化值。这种增强归功于更长的长宽比、更高的组成比和改进的取向，这使得BST67纳米颗粒能够获得更大的电场强度。利用LGD法计算ΔT可知，BST67的这三个因素可以独立增加ΔT，它们对铁电聚合物的ECE性能表现出协同效应。我们的结论为今后聚合物/无机铁电复合材料中ECE的研究提供了有价值的见解。

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引用次数: 0

Polarization stability in lead-free Na0.5Bi0.5TiO3 ceramics: Grain size and temperature effects 无铅Na0.5Bi0.5TiO3陶瓷的极化稳定性：晶粒尺寸和温度影响

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-01 DOI: 10.1016/j.jmat.2025.101102

Marija Dunce , Vladimir V. Shvartsman , Mahmoud Hotari , Doru C. Lupascu , Eriks Birks , Andrei Kholkin

The stability of the polarization state in Na_0.5Bi_0.5TiO₃ (NBT) ceramics has been a long-standing problem for its use in piezoelectric applications at elevated temperatures. It has been generally believed that the polarization state, depolarization temperature, and depolarization process are all linked to the grain size in these materials. In this work, we perform a thorough Piezoresponse Force Microscopy (PFM) study of the NBT ceramic samples with substantially different grain sizes sintered as a function of temperature. As-grown, macroscopically poled, and locally poled samples were investigated focusing on the polarization behavior at depolarization temperature. Switching Spectroscopy PFM (SS-PFM) measurements were conducted as a function of grain size and temperature. No direct correlation is observed between the grain size and the switching parameters in any sample. However, temperature-dependent measurements reveal significant differences that are explained by different concentrations of oxygen vacancies. We rationalized the observed behavior, e.g. apparent stabilization of the locally probed polarization above the depolarization temperature, by accumulation and depletion of oxygen vacancies in the vicinity of the internal boundary of the poled region. Significant asymmetry of the PFM hysteresis loops at elevated temperatures confirms this assumption.

Na0.5Bi0.5TiO3 （NBT）陶瓷在高温下的极化态稳定性一直是其在压电应用中的一个长期问题。人们普遍认为，这些材料的极化状态、退极化温度和退极化过程都与晶粒尺寸有关。在这项工作中，我们对具有不同晶粒尺寸的NBT陶瓷样品进行了全面的压电响应力显微镜（PFM）研究。研究了长生、宏观极化和局部极化样品在退极化温度下的极化行为。切换光谱(SS)-PFM测量作为晶粒尺寸和温度的函数进行。在任何样品中，没有观察到晶粒尺寸与开关参数之间的直接相关性。然而，温度相关的测量揭示了由不同氧空位浓度解释的显著差异。我们通过在极化区内部边界附近氧空位的积累和耗尽来合理化观察到的行为，例如局部探测极化在退极化温度以上的明显稳定。PFM磁滞回线在高温下的显著不对称性证实了这一假设。

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引用次数: 0

Rattling effect mechanism on the temperature stability of low-sintered Ca1–x(Li1/2Eu1/2)xWO4 microwave dielectric ceramics for dielectric resonant antenna applications 低烧结Ca1-x (Li1/2Eu1/2)xWO4微波介质陶瓷用于介质谐振天线的温度稳定性的嘎嘎效应机理

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-01 DOI: 10.1016/j.jmat.2025.101094

Qingfeng Li , Jie Li , Ying Tang , Huaicheng Xiang , Di Zhou , Kaixin Song , Liang Fang

The low dielectric constant (ε_r < 15) is the key to improving the signal transmission speed of microwave communication devices. However, the resonant frequency temperature coefficient (τ_f) of most low-ε_r microwave dielectric ceramics is usually negative. Aiming to modify the large negative τ_f of scheelite CaWO₄ and explore the underlying mechanism between the structure and microwave dielectric properties, a series of Ca_1–x(Li_1/2Eu_1/2)_xWO₄ (x = 0.1−1.0) (CLEWO_x) ceramics were prepared at low sintering temperatures (750−875 °C). The ε_r increased from 10.46 to 18.55, and the Q× f decreased from 39,032 GHz–7425 GHz, mainly due to the enhanced rattling effect of Li⁺. The τ_f rapidly increased from negative (−19.91 × 10⁻⁶ °C⁻¹) to abnormally positive (+162.15 × 10⁻⁶ °C⁻¹), influenced by the reduced temperature coefficient of ion polarizability (τ_αm) caused by the rattling Li ⁺ cation. The CLEWO_0.15 sample has good comprehensive performance (ε_r = 12.28, Q×f = 28,027 GHz, and τ_f = −0.5 × 10⁻⁶ °C⁻¹) and compatibility with the Ag electrode, showing the potential of LTCC applications. Additionally, a dielectric resonator antenna based on CLEWO_0.15 ceramic was designed with a bandwidth of 254 MHz at 4.504−4.758 GHz and a gain of 4.87 dBi at 4.62 GHz, indicating that CLEWO_0.15 may be a potential candidate for dielectric resonator antennas.

低介电常数(εr <；15)是提高微波通信设备信号传输速度的关键。然而，大多数低εr微波介质陶瓷的谐振频率温度系数τf通常为负。为了修正白钨矿CaWO4的大负τf，探讨其结构与微波介电性能之间的潜在机制，在低温（750 ~ 875℃）下制备了一系列Ca1-x (Li1/2Eu1/2)xWO4 (x = 0.1 ~ 1.0) （CLEWOx）陶瓷。εr从10.46增加到18.55，qx f从39,032 GHz降低到7425 GHz，这主要是由于Li+的咔嗒效应增强所致。由于Li+阳离子的咔咔性降低了离子极化温度系数ταm，使得τf由负（-19.91×10−6°C−1）迅速增大到异常正（+162.15×10−6°C−1）。CLEWO0.15样品具有良好的综合性能（εr = 12.28, Q×f = 28,027 GHz, τf = -0.5×10−6°C−1）和与Ag电极的相容性，具有LTCC应用潜力。此外，设计了基于CLEWO0.15陶瓷的介质谐振器天线，在4.504 ~ 4.758 GHz频段带宽为254 MHz，在4.62 GHz频段增益为4.87 dBi，表明CLEWO0.15可能是介质谐振器天线的潜在候选者。

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引用次数: 0

Biomimetic multi-layered protective materials with prestress and a periodic laminated structure 具有预应力和周期性层合结构的仿生多层防护材料

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-01 DOI: 10.1016/j.jmat.2025.101095

Xin Liu , Fan Zhang , Ji Zou , Weimin Wang , Wei Ji , Zhengyi Fu

The nacreous layer of shells has become an excellent biomimetic template of materials due to its unique structure. Inspired by the highly complex multilayered structure of shells, biomimetic layered composite protective materials with outstanding strength, toughness, and impact resistance have been developed. As the hard phase in biomimetic pearlescent layered protective materials, ceramics suffer from inherent low toughness. Applying prestress proved to be an efficient method to enhance their toughness and impact resistance. In this study, prestressed biomimetic periodic laminated (TiB₂TiB)/Ti protective materials were fabricated with spark plasma sintering (SPS) technology under the conditions of 1450 °C and 30 MPa in an argon atmosphere. Moreover, both experimental and numerical simulation analyses were conducted to investigate their protective performance. Compared to non-prestressed protective materials, the prestressed constrained materials exhibited the significantly improved protective performance with reduced penetration depth, substantially lower residual velocity, and kinetic energy after impact. This study provided valuable insights into the structural design and performance optimization of other protective materials.

珠光壳层以其独特的结构成为一种优良的仿生模板材料。受贝壳高度复杂的多层结构的启发，开发出具有优异强度、韧性和抗冲击性能的仿生层状复合防护材料。陶瓷作为仿生珠光层状防护材料中的硬相，具有固有的低韧性。预应力是提高其韧性和抗冲击性能的有效方法。在1450℃、30 MPa的氩气环境下，采用放电等离子烧结（SPS）技术制备了预应力仿生周期性层压(TiB2-TiB)/Ti保护材料。并对其防护性能进行了实验和数值模拟分析。与非预应力保护材料相比，预应力约束材料的保护性能显著提高，侵彻深度减小，冲击后残余速度和动能显著降低。该研究为其他防护材料的结构设计和性能优化提供了有价值的见解。

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引用次数: 0

Solid-solution-tuned d-band center boosts alkaline hydrogen evolution 固溶体调谐的d波段中心促进碱性氢的演化

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-01-01 DOI: 10.1016/j.jmat.2025.101100

Saiya Liu , Wenjia Gu , Chunyang Zhang , Kejian Lu , Fei Xue , Maochang Liu

d-band center engineering in metal phosphide offers promising avenues to improve hydrogen evolution reaction (HER) activity through electronic modulation. However, precise d-band regulation via theoretically feasible double heteroatom modification remains challenging. This work demonstrates a ternary metal phosphide (Fe_0.5V_0.5NiP) engineered through Fe/V integration to optimize the d-band center of nickel phosphide (Ni₂P). Combined experimental and theoretical analyses reveal that Fe and V synergistically shift the d-band center closer to the Fermi level, thereby balancing absorption/desorption of HER intermediates. Notably, V significantly reduces water dissociation energy barriers, while FeV cooperation optimizes hydrogen-adsorption Gibbs free energy. The Fe_0.5V_0.5NiP achieves exceptional alkaline HER performance, delivering overpotentials of 67.9 mV (10 mA/cm²) and 203.1 mV (100 mA/cm²) in 1 mol/L KOH, surpassing the benchmark Pt/C. Remarkably, it maintains stability for 100 consecutive hours without degradation. This work provides atomic-level insights on dual-heteroatom modified d-band tuning and establishes a rational design paradigm for high-performance metal phosphide electrocatalyst.

金属磷化物的d波段中心工程为通过电子调制提高析氢反应（HER）活性提供了有前途的途径。然而，通过理论上可行的双杂原子修饰来精确调节d波段仍然具有挑战性。本研究展示了一种通过Fe/V集成来优化磷化镍（Ni2P） d波段中心的三元金属磷化物（Fe0.5V0.5NiP）。结合实验和理论分析表明，Fe和V协同作用使d带中心更靠近费米能级，从而平衡HER中间体的吸收/解吸。值得注意的是，V显著降低了水的解离能垒，而Fe-V的配合作用优化了氢吸附的吉布斯自由能。Fe0.5V0.5NiP具有优异的碱性HER性能，在1mol /L KOH条件下可提供67.9 mV （10 mA/cm2）和203.1 mV （100 mA/cm2）过电位，超过基准Pt/C。值得注意的是，它连续100小时保持稳定而不退化。这项工作提供了双杂原子修饰d波段调谐的原子水平见解，并建立了高性能金属磷化物电催化剂的合理设计范式。

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