Pub Date : 2025-05-01Epub Date: 2025-03-09DOI: 10.1016/j.cossms.2025.101221
Jose M. Torralba , Alberto Meza , S. Venkatesh Kumaran , Amir Mostafaei , Ahad Mohammadzadeh
The development of high-entropy alloys (HEAs) has marked a paradigm shift in alloy design, moving away from traditional methods that prioritize a dominant base metal enhanced by minor elements. HEAs instead incorporate multiple alloying elements with no single dominant component, broadening the scope of alloy design. This shift has led to the creation of diverse alloys with high entropy (AHEs) families, including high-entropy steels, superalloys, and intermetallics, each highlighting the need to consider additional factors such as stacking fault energy (SFE), lattice misfit, and anti-phase boundary energy (APBE) due to their significant influence on microstructure and performance. Leveraging multiple elements in alloying opens up promising possibilities for developing new alloys from multi-component scrap and electronic waste, reducing reliance on critical metals and emphasizing the need for advanced data generation techniques. With the vast possibilities offered by these multi-component feedstocks, modelling and Artificial Intelligence based tools are essential to efficiently explore and optimize new alloys, supporting sustainable progress in metallurgy. These advancements call for a reimagined alloy design framework, emphasizing robust data acquisition, alternative design parameters, and advanced computational tools over traditional composition-focused methodologies.
{"title":"From high-entropy alloys to alloys with high entropy: A new paradigm in materials science and engineering for advancing sustainable metallurgy","authors":"Jose M. Torralba , Alberto Meza , S. Venkatesh Kumaran , Amir Mostafaei , Ahad Mohammadzadeh","doi":"10.1016/j.cossms.2025.101221","DOIUrl":"10.1016/j.cossms.2025.101221","url":null,"abstract":"<div><div>The development of high-entropy alloys (HEAs) has marked a paradigm shift in alloy design, moving away from traditional methods that prioritize a dominant base metal enhanced by minor elements. HEAs instead incorporate multiple alloying elements with no single dominant component, broadening the scope of alloy design. This shift has led to the creation of diverse alloys with high entropy (AHEs) families, including high-entropy steels, superalloys, and intermetallics, each highlighting the need to consider additional factors such as stacking fault energy (SFE), lattice misfit, and anti-phase boundary energy (APBE) due to their significant influence on microstructure and performance. Leveraging multiple elements in alloying opens up promising possibilities for developing new alloys from multi-component scrap and electronic waste, reducing reliance on critical metals and emphasizing the need for advanced data generation techniques. With the vast possibilities offered by these multi-component feedstocks, modelling and Artificial Intelligence based tools are essential to efficiently explore and optimize new alloys, supporting sustainable progress in metallurgy. These advancements call for a reimagined alloy design framework, emphasizing robust data acquisition, alternative design parameters, and advanced computational tools over traditional composition-focused methodologies.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"36 ","pages":"Article 101221"},"PeriodicalIF":12.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577864","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-05-01Epub Date: 2025-04-04DOI: 10.1016/j.cossms.2025.101222
X. Li , S. Zhao , A.S. Utada
Bacteria are ubiquitous and adaptable microorganisms that play crucial roles in the functioning of the ecosystem and hold immense potential for biotechnological applications. In nearly all environments, they form self-assembled biofilm communities. In this mini-review, we examine bacterial aggregation, focusing on two key aspects: the use of depletion forces to direct bacterial assembly and the emergence of liquid crystalline order in biofilms. We explore how the depletion attraction effect can be used to direct the assembly of bacteria into ordered groups, while also highlighting the diversity of ways different bacterial biofilms develop liquid crystal-like order and how it influences biofilm morphology and function. These phenomena offer promising avenues for manipulating bacterial communities and hold the potential to contribute to the development of design rules for engineering biofilms with tailored architectures and functionalities. This knowledge will ultimately expand our ability to harness biofilms for diverse applications in bioremediation, biomanufacturing, and medicine.
{"title":"Designing biofilm architecture through depletion-mediated self-assembly and emergent nematic order","authors":"X. Li , S. Zhao , A.S. Utada","doi":"10.1016/j.cossms.2025.101222","DOIUrl":"10.1016/j.cossms.2025.101222","url":null,"abstract":"<div><div>Bacteria are ubiquitous and adaptable microorganisms that play crucial roles in the functioning of the ecosystem and hold immense potential for biotechnological applications. In nearly all environments, they form self-assembled biofilm communities. In this mini-review, we examine bacterial aggregation, focusing on two key aspects: the use of depletion forces to direct bacterial assembly and the emergence of liquid crystalline order in biofilms. We explore how the depletion attraction effect can be used to direct the assembly of bacteria into ordered groups, while also highlighting the diversity of ways different bacterial biofilms develop liquid crystal-like order and how it influences biofilm morphology and function. These phenomena offer promising avenues for manipulating bacterial communities and hold the potential to contribute to the development of design rules for engineering biofilms with tailored architectures and functionalities. This knowledge will ultimately expand our ability to harness biofilms for diverse applications in bioremediation, biomanufacturing, and medicine.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"36 ","pages":"Article 101222"},"PeriodicalIF":12.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143777618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-05-01Epub Date: 2025-03-16DOI: 10.1016/j.cossms.2025.101219
Uri Raviv
Microtubules (MTs) are one of the major components of the cytoskeleton. They are involved in many key functions of eukaryotic cells, including cell division, intracellular transport, cell motility, and cell shape. MTs are hollow tubules made of parallel filaments, formed by active (non-equilibrium) self-organization of tubulin dimers. The dynamic self-organization of tubulin is facilitated by the GTPase activity of tubulin. Tubulin self-assembles with microtubule-associated proteins (MAPs) and other factors into a wide range of morphologies, including tubulin rings, MT bundles, and the spindle apparatus, segregating chromosomes during cell division. In this review, we shall discuss recent insight into the intimate link between tubulin -biochemistry, -structure, -interactions, -dynamics, -stability, -assembly, -disassembly, and -mechanical properties. We shall then focus on recent time-resolved solution X-ray scattering analysis of tubulin self-organization below and above the critical conditions for microtubule assembly. Finally, we shall discuss some of the challenging multiscale unsolved problems requiring the integration of different experimental and theoretical methods. Microtubule formation is an important target for drugs to treat conditions like gout and a wide range of cancers. Understanding the polymerization mechanism could help in the design of future drugs and in the development of active biomaterials that promote the remodeling or regeneration of tissue after disease or injury.
{"title":"Structures, energetics, and dynamics of active tubulin self-organization","authors":"Uri Raviv","doi":"10.1016/j.cossms.2025.101219","DOIUrl":"10.1016/j.cossms.2025.101219","url":null,"abstract":"<div><div>Microtubules (MTs) are one of the major components of the cytoskeleton. They are involved in many key functions of eukaryotic cells, including cell division, intracellular transport, cell motility, and cell shape. MTs are hollow tubules made of parallel filaments, formed by active (non-equilibrium) self-organization of tubulin dimers. The dynamic self-organization of tubulin is facilitated by the GTPase activity of tubulin. Tubulin self-assembles with microtubule-associated proteins (MAPs) and other factors into a wide range of morphologies, including tubulin rings, MT bundles, and the spindle apparatus, segregating chromosomes during cell division. In this review, we shall discuss recent insight into the intimate link between tubulin -biochemistry, -structure, -interactions, -dynamics, -stability, -assembly, -disassembly, and -mechanical properties. We shall then focus on recent time-resolved solution X-ray scattering analysis of tubulin self-organization below and above the critical conditions for microtubule assembly. Finally, we shall discuss some of the challenging multiscale unsolved problems requiring the integration of different experimental and theoretical methods. Microtubule formation is an important target for drugs to treat conditions like gout and a wide range of cancers. Understanding the polymerization mechanism could help in the design of future drugs and in the development of active biomaterials that promote the remodeling or regeneration of tissue after disease or injury.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"36 ","pages":"Article 101219"},"PeriodicalIF":12.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637199","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-05-01Epub Date: 2025-04-27DOI: 10.1016/j.cossms.2025.101224
T. Muroga , P.F. Zheng , Y. Yang
Since the need for low-activation fusion reactor materials was recognized in the mid-1980s, vanadium alloys have been researched and developed as promising candidates for blanket structural materials. Vanadium alloys are non-ferromagnetic and ductile materials and thus have advantages different from other candidates. However, since vanadium alloys are still at a premature industrial stage, research and development have been carried out not only on issues specific to fusion reactors but also on those related to industrial materials. Blankets using vanadium alloys as structural materials and liquid Li as a tritium breeder and coolant (self-cooled V/Li blankets) have unique characteristics, and research and development of issues specific to V/Li blankets have been conducted in conjunction with the development of vanadium alloys. In this paper, the progress of this research and development is reviewed, and the remaining issues are pointed out. Furthermore, the future direction of vanadium alloy research and development is discussed, considering recent changes in the environment surrounding fusion energy.
{"title":"History, present status, and future directions of vanadium alloys for fusion reactors","authors":"T. Muroga , P.F. Zheng , Y. Yang","doi":"10.1016/j.cossms.2025.101224","DOIUrl":"10.1016/j.cossms.2025.101224","url":null,"abstract":"<div><div>Since the need for low-activation fusion reactor materials was recognized in the mid-1980s, vanadium alloys have been researched and developed as promising candidates for blanket structural materials. Vanadium alloys are non-ferromagnetic and ductile materials and thus have advantages different from other candidates. However, since vanadium alloys are still at a premature industrial stage, research and development have been carried out not only on issues specific to fusion reactors but also on those related to industrial materials. Blankets using vanadium alloys as structural materials and liquid Li as a tritium breeder and coolant (self-cooled V/Li blankets) have unique characteristics, and research and development of issues specific to V/Li blankets have been conducted in conjunction with the development of vanadium alloys. In this paper, the progress of this research and development is reviewed, and the remaining issues are pointed out. Furthermore, the future direction of vanadium alloy research and development is discussed, considering recent changes in the environment surrounding fusion energy.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"36 ","pages":"Article 101224"},"PeriodicalIF":12.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-05-01Epub Date: 2025-04-28DOI: 10.1016/j.cossms.2025.101223
Yan-Ru Lin , Takaaki Koyanagi , Steven J. Zinkle , Lance L. Snead , Yutai Katoh
Ultra-high temperature ceramics (UHTCs) offer several potential advantages as plasma-facing components (PFCs) in fusion reactors due to their extreme melting points, tailorable thermal conductivity, and attractive unirradiated mechanical properties including fracture toughness comparable or superior to tungsten. Recent developments and material properties of UHTCs are briefly reviewed, along with an overview of limited studies on their responses to neutron irradiation and an evaluation of plasma-surface interactions. Five key research pathways, primarily focused on irradiation effects, for advancing UHTCs in PFC applications are discussed: (1) assessing irradiation effects on the coupled thermal–mechanical performance (2) addressing the lack of studies on irradiation, plasma-surface interactions, and their synergistic effects; (3) investigating high-temperature (>1000 °C) neutron irradiation effects critical for PFC performance; (4) optimizing multi-component UHTC compositions or composites to improve thermal or mechanical properties; (5) enhancing radiation resistance to mitigate microcracking and void swelling through strategies such as increasing sink strength by reducing grain size, introducing fine particles, and leveraging complex concentrated alloy concepts.
{"title":"Perspectives and challenges of ultra-high temperature ceramics for fusion plasma-facing applications","authors":"Yan-Ru Lin , Takaaki Koyanagi , Steven J. Zinkle , Lance L. Snead , Yutai Katoh","doi":"10.1016/j.cossms.2025.101223","DOIUrl":"10.1016/j.cossms.2025.101223","url":null,"abstract":"<div><div>Ultra-high temperature ceramics (UHTCs) offer several potential advantages as plasma-facing components (PFCs) in fusion reactors due to their extreme melting points, tailorable thermal conductivity, and attractive unirradiated mechanical properties including fracture toughness comparable or superior to tungsten. Recent developments and material properties of UHTCs are briefly reviewed, along with an overview of limited studies on their responses to neutron irradiation and an evaluation of plasma-surface interactions. Five key research pathways, primarily focused on irradiation effects, for advancing UHTCs in PFC applications are discussed: (1) assessing irradiation effects on the coupled thermal–mechanical performance (2) addressing the lack of studies on irradiation, plasma-surface interactions, and their synergistic effects; (3) investigating high-temperature (>1000 °C) neutron irradiation effects critical for PFC performance; (4) optimizing multi-component UHTC compositions or composites to improve thermal or mechanical properties; (5) enhancing radiation resistance to mitigate microcracking and void swelling through strategies such as increasing sink strength by reducing grain size, introducing fine particles, and leveraging complex concentrated alloy concepts.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"36 ","pages":"Article 101223"},"PeriodicalIF":12.2,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143881835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-01Epub Date: 2025-02-26DOI: 10.1016/j.cossms.2025.101216
Lakshitha Jasin Arachchige , Chunqing Li , Feng Wang
Steel structures form the backbone of modern infrastructure, providing strength and durability to buildings, bridges, and other critical constructions. However, iron/steel corrosion is a prevalent issue leading to significant maintenance costs and safety concerns across various industries. Understanding and inhibiting iron/steel corrosion is vital to ensuring the sustainability of these industries. Capturing atomistic scale corrosion mechanisms and interactions using traditional experimental methods is challenging. Recent advances in computational materials chemistry, particularly density functional theory (DFT) and molecular dynamics (MD) simulations have significantly enhanced our understanding of the corrosion mechanism. This review focuses on the latest progresses using DFT and MD simulations to investigate iron/steel corrosion at the atomistic level. We discuss how these methods are employed to understand the fundamental process of oxidation, passivation and depassivation mechanisms, and the role of aggressive agents so that more effective corrosion prevention methods can be developed. This review aims to provide a comprehensive literature study on iron/steel corrosion mechanisms using computational tools and their contribution in understanding and prevention of corrosion.
{"title":"Recent advances in understanding iron/steel corrosion: Mechanistic insights from molecular simulations","authors":"Lakshitha Jasin Arachchige , Chunqing Li , Feng Wang","doi":"10.1016/j.cossms.2025.101216","DOIUrl":"10.1016/j.cossms.2025.101216","url":null,"abstract":"<div><div>Steel structures form the backbone of modern infrastructure, providing strength and durability to buildings, bridges, and other critical constructions. However, iron/steel corrosion is a prevalent issue leading to significant maintenance costs and safety concerns across various industries. Understanding and inhibiting iron/steel corrosion is vital to ensuring the sustainability of these industries. Capturing atomistic scale corrosion mechanisms and interactions using traditional experimental methods is challenging. Recent advances in computational materials chemistry, particularly density functional theory (DFT) and molecular dynamics (MD) simulations have significantly enhanced our understanding of the corrosion mechanism. This review focuses on the latest progresses using DFT and MD simulations to investigate iron/steel corrosion at the atomistic level. We discuss how these methods are employed to understand the fundamental process of oxidation, passivation and depassivation mechanisms, and the role of aggressive agents so that more effective corrosion prevention methods can be developed. This review aims to provide a comprehensive literature study on iron/steel corrosion mechanisms using computational tools and their contribution in understanding and prevention of corrosion.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"35 ","pages":"Article 101216"},"PeriodicalIF":12.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-01Epub Date: 2025-02-28DOI: 10.1016/j.cossms.2025.101220
Zulfidin Khodzhaev, Jean Anne C. Incorvia
Voltage-controlled magnetic skyrmion manipulation has emerged as a promising approach for designing high-density and low-power magnetic devices. This paper investigates the potential of magnetic skyrmion manipulation chambers for such devices, focusing on applications in neuromorphic computing systems. Here, a comprehensive analysis of the properties and characteristics of magnetic skyrmions, their manipulation techniques, and their suitability for magnetic devices is presented. The findings suggest that voltage-controlled skyrmion manipulation chambers have significant advantages over conventional technologies for applications such as high-density data storage, low-power spintronic devices, and adaptable neuromorphic computing systems. These advantages stem from the unique properties of skyrmions, including their topological stability, nanoscale dimensions, and efficient manipulation through voltage control. Furthermore, the dynamic rearrangement capabilities of skyrmion manipulation chambers make them ideal for implementing adaptable neuromorphic architectures and low-power skyrmion-based synaptic devices. This study provides a foundation for further research and development in skyrmion manipulation chambers to realize their potential in neuromorphic computing systems.
{"title":"Voltage-controlled skyrmion manipulation chambers for neuromorphic computing","authors":"Zulfidin Khodzhaev, Jean Anne C. Incorvia","doi":"10.1016/j.cossms.2025.101220","DOIUrl":"10.1016/j.cossms.2025.101220","url":null,"abstract":"<div><div>Voltage-controlled magnetic skyrmion manipulation has emerged as a promising approach for designing high-density and low-power magnetic devices. This paper investigates the potential of magnetic skyrmion manipulation chambers for such devices, focusing on applications in neuromorphic computing systems. Here, a comprehensive analysis of the properties and characteristics of magnetic skyrmions, their manipulation techniques, and their suitability for magnetic devices is presented. The findings suggest that voltage-controlled skyrmion manipulation chambers have significant advantages over conventional technologies for applications such as high-density data storage, low-power spintronic devices, and adaptable neuromorphic computing systems. These advantages stem from the unique properties of skyrmions, including their topological stability, nanoscale dimensions, and efficient manipulation through voltage control. Furthermore, the dynamic rearrangement capabilities of skyrmion manipulation chambers make them ideal for implementing adaptable neuromorphic architectures and low-power skyrmion-based synaptic devices. This study provides a foundation for further research and development in skyrmion manipulation chambers to realize their potential in neuromorphic computing systems.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"35 ","pages":"Article 101220"},"PeriodicalIF":12.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143511519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-01Epub Date: 2025-02-26DOI: 10.1016/j.cossms.2025.101214
Ryan Jacobs , Dane Morgan , Siamak Attarian , Jun Meng , Chen Shen , Zhenghao Wu , Clare Yijia Xie , Julia H. Yang , Nongnuch Artrith , Ben Blaiszik , Gerbrand Ceder , Kamal Choudhary , Gabor Csanyi , Ekin Dogus Cubuk , Bowen Deng , Ralf Drautz , Xiang Fu , Jonathan Godwin , Vasant Honavar , Olexandr Isayev , Boris Kozinsky
The rapid development and large body of literature on machine learning interatomic potentials (MLIPs) can make it difficult to know how to proceed for researchers who are not experts but wish to use these tools. The spirit of this review is to help such researchers by serving as a practical, accessible guide to the state-of-the-art in MLIPs. This review paper covers a broad range of topics related to MLIPs, including (i) central aspects of how and why MLIPs are enablers of many exciting advancements in molecular modeling, (ii) the main underpinnings of different types of MLIPs, including their basic structure and formalism, (iii) the potentially transformative impact of universal MLIPs for both organic and inorganic systems, including an overview of the most recent advances, capabilities, downsides, and potential applications of this nascent class of MLIPs, (iv) a practical guide for estimating and understanding the execution speed of MLIPs, including guidance for users based on hardware availability, type of MLIP used, and prospective simulation size and time, (v) a manual for what MLIP a user should choose for a given application by considering hardware resources, speed requirements, energy and force accuracy requirements, as well as guidance for choosing pre-trained potentials or fitting a new potential from scratch, (vi) discussion around MLIP infrastructure, including sources of training data, pre-trained potentials, and hardware resources for training, (vii) summary of some key limitations of present MLIPs and current approaches to mitigate such limitations, including methods of including long-range interactions, handling magnetic systems, and treatment of excited states, and finally (viii) we finish with some more speculative thoughts on what the future holds for the development and application of MLIPs over the next 3–10+ years.
{"title":"A practical guide to machine learning interatomic potentials – Status and future","authors":"Ryan Jacobs , Dane Morgan , Siamak Attarian , Jun Meng , Chen Shen , Zhenghao Wu , Clare Yijia Xie , Julia H. Yang , Nongnuch Artrith , Ben Blaiszik , Gerbrand Ceder , Kamal Choudhary , Gabor Csanyi , Ekin Dogus Cubuk , Bowen Deng , Ralf Drautz , Xiang Fu , Jonathan Godwin , Vasant Honavar , Olexandr Isayev , Boris Kozinsky","doi":"10.1016/j.cossms.2025.101214","DOIUrl":"10.1016/j.cossms.2025.101214","url":null,"abstract":"<div><div>The rapid development and large body of literature on machine learning interatomic potentials (MLIPs) can make it difficult to know how to proceed for researchers who are not experts but wish to use these tools. The spirit of this review is to help such researchers by serving as a practical, accessible guide to the state-of-the-art in MLIPs. This review paper covers a broad range of topics related to MLIPs, including (i) central aspects of how and why MLIPs are enablers of many exciting advancements in molecular modeling, (ii) the main underpinnings of different types of MLIPs, including their basic structure and formalism, (iii) the potentially transformative impact of universal MLIPs for both organic and inorganic systems, including an overview of the most recent advances, capabilities, downsides, and potential applications of this nascent class of MLIPs, (iv) a practical guide for estimating and understanding the execution speed of MLIPs, including guidance for users based on hardware availability, type of MLIP used, and prospective simulation size and time, (v) a manual for what MLIP a user should choose for a given application by considering hardware resources, speed requirements, energy and force accuracy requirements, as well as guidance for choosing pre-trained potentials or fitting a new potential from scratch, (vi) discussion around MLIP infrastructure, including sources of training data, pre-trained potentials, and hardware resources for training, (vii) summary of some key limitations of present MLIPs and current approaches to mitigate such limitations, including methods of including long-range interactions, handling magnetic systems, and treatment of excited states, and finally (viii) we finish with some more speculative thoughts on what the future holds for the development and application of MLIPs over the next 3–10+ years.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"35 ","pages":"Article 101214"},"PeriodicalIF":12.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488241","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-01Epub Date: 2025-02-07DOI: 10.1016/j.cossms.2025.101215
Hyun-Haeng Lee , Jun-Seok Ro , Kwan-Nyeong Kim , Hea-Lim Park , Tae-Woo Lee
Artificial vision systems will be essential in intelligent machine-vision applications such as autonomous vehicles, bionic eyes, and humanoid robot eyes. However, conventional digital electronics in these systems face limitations in system complexity, processing speed, and energy consumption. These challenges have been addressed by biomimetic approaches utilizing optoelectronic synapses inspired by the biological synapses in the eye. Nanomaterials can confine photogenerated charge carriers within nano-sized regions, and thus offer significant potential for optoelectronic synapses to perform in-sensor image-processing tasks, such as classifying static multicolor images and detecting dynamic object movements. We introduce recent developments in optoelectronic synapses, focusing on use of photosensitive nanomaterials. We also explore applications of these synapses in recognizing static and dynamic optical information. Finally, we suggest future directions for research on optoelectronic synapses to implement neuromorphic artificial vision.
{"title":"Exploring photosensitive nanomaterials and optoelectronic synapses for neuromorphic artificial vision","authors":"Hyun-Haeng Lee , Jun-Seok Ro , Kwan-Nyeong Kim , Hea-Lim Park , Tae-Woo Lee","doi":"10.1016/j.cossms.2025.101215","DOIUrl":"10.1016/j.cossms.2025.101215","url":null,"abstract":"<div><div>Artificial vision systems will be essential in intelligent machine-vision applications such as autonomous vehicles, bionic eyes, and humanoid robot eyes. However, conventional digital electronics in these systems face limitations in system complexity, processing speed, and energy consumption. These challenges have been addressed by biomimetic approaches utilizing optoelectronic synapses inspired by the biological synapses in the eye. Nanomaterials can confine photogenerated charge carriers within nano-sized regions, and thus offer significant potential for optoelectronic synapses to perform in-sensor image-processing tasks, such as classifying static multicolor images and detecting dynamic object movements. We introduce recent developments in optoelectronic synapses, focusing on use of photosensitive nanomaterials. We also explore applications of these synapses in recognizing static and dynamic optical information. Finally, we suggest future directions for research on optoelectronic synapses to implement neuromorphic artificial vision.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"35 ","pages":"Article 101215"},"PeriodicalIF":12.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143348423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Recent rapid developments in machine learning (ML) models have revolutionized the generation of images and texts. Simultaneously, generative models are beginning to permeate other fields, where they are being applied to the effective design of various structures. In the field of metamaterials, in particular, machine learning has enabled the creation of sophisticated architectures with unconventional behavior and unique properties. In this article, we review recent advancements in the ML-driven design of a particular class of artificial materials — phononic metamaterials — that are capable of programming the propagation of acoustic and elastic waves. This review includes an in-depth discussion of the challenges and future prospects, aiming to inspire the phononic community to advance this research field collectively. We hope this article will help readers understand the recent developments in generative design and build a solid foundation for addressing specific research problems that could benefit from the application of machine learning models.
{"title":"Machine learning for inverse design of acoustic and elastic metamaterials","authors":"Krupali Donda , Pankit Brahmkhatri , Yifan Zhu , Bishwajit Dey , Viacheslav Slesarenko","doi":"10.1016/j.cossms.2025.101218","DOIUrl":"10.1016/j.cossms.2025.101218","url":null,"abstract":"<div><div>Recent rapid developments in machine learning (ML) models have revolutionized the generation of images and texts. Simultaneously, generative models are beginning to permeate other fields, where they are being applied to the effective design of various structures. In the field of metamaterials, in particular, machine learning has enabled the creation of sophisticated architectures with unconventional behavior and unique properties. In this article, we review recent advancements in the ML-driven design of a particular class of artificial materials — phononic metamaterials — that are capable of programming the propagation of acoustic and elastic waves. This review includes an in-depth discussion of the challenges and future prospects, aiming to inspire the phononic community to advance this research field collectively. We hope this article will help readers understand the recent developments in generative design and build a solid foundation for addressing specific research problems that could benefit from the application of machine learning models.</div></div>","PeriodicalId":295,"journal":{"name":"Current Opinion in Solid State & Materials Science","volume":"35 ","pages":"Article 101218"},"PeriodicalIF":12.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143552765","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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