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| Open AccessRevealing the relationship between liquid fragility and medium-range order in silicate glasses
Fragility describes the sharpness of dynamical arrest of a melt at its glass transition, yet its structural origin remains elusive. Shi et al. show that fragility inversely correlates with the medium-range order structure characterized by a measurable parameter named the average medium-range distance.
- Ying Shi
- , Binghui Deng
- & Douglas C. Allan
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Article
| Open AccessSlight compositional variation-induced structural disorder-to-order transition enables fast Na+ storage in layered transition metal oxides
In layered transition metal oxides as cathode active materials for Na-ion batteries, Na+ diffusion kinetics are impacted by Na+/vacancy ordering. Here, the authors suggest that the P2-type Na2/3Ni1/3Mn2/3O2 with large zigzag ordering exhibits high Na+ mobility and thus superior rate capability.
- Yuansheng Shi
- , Pengfeng Jiang
- & Xia Lu
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Article
| Open AccessPhonon behavior in a random solid solution: a lattice dynamics study on the high-entropy alloy FeCoCrMnNi
High entropy alloys are multi-element random alloys with a strong short range disorder. Here, the authors show that their heat carrying lattice waves, while strongly attenuated by the force-constant disorder, propagate until high energy.
- Shelby R. Turner
- , Stéphane Pailhès
- & Valentina M. Giordano
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Article
| Open AccessHighly tunable β-relaxation enables the tailoring of crystallization in phase-change materials
The crystallization of phase-change materials is relevant to their applications in memory and neuromorphic computing devices. Cheng et al. show that the β-relaxation in Ge15Sb85 can be controlled by thermal annealing, leading to the tunability in its crystallization kinetics by one order of magnitude.
- Yudong Cheng
- , Qun Yang
- & Shuai Wei
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Article
| Open AccessHigh-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content
The lanthanum-hydrogen system has attracted attention following the observation of superconductivity in LaH10 at near-ambient temperatures and high pressures. Here authors describe the high-pressure syntheses of seven La-H phases; they report crystal structures and remarkable regularities in rare-earth element hydrides.
- Dominique Laniel
- , Florian Trybel
- & Natalia Dubrovinskaia
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Article
| Open AccessData-driven electron-diffraction approach reveals local short-range ordering in CrCoNi with ordering effects
Non-random chemical mixings that are intrinsic to medium- and high-entropy alloys are difficult to detect and quantify. Here the authors perform a diffraction data-mining analysis, revealing nanoclusters of short-range orders in a CrCoNi alloy, and their impacts on chemical homogeneity and dislocations slip.
- Haw-Wen Hsiao
- , Rui Feng
- & Jian-Min Zuo
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Article
| Open AccessTopological phononics arising from fluid-solid interactions
Fluid-solid interaction, long investigated, is mostly neglected in topological acoustics. Here the authors find that it can give rise to intriguing topological phenomena in simple phononic crystals due to intrinsic differences between sound in fluid and solid.
- Xiaoxiao Wu
- , Haiyan Fan
- & Xiang Zhang
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Matters Arising
| Open AccessCritical evaluation of (110) texture in lithium electrodeposits on isotropic Cu polycrystals
- Chaojing Lu
- & Zongta Luo
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Article
| Open AccessBond engineering of molecular ferroelectrics renders soft and high-performance piezoelectric energy harvesting materials
Improving piezoelectric strain and voltage constant generally compromises piezoelectric performance and mechanical softness. Here, the authors report a bond weakening strategy for organic-inorganic hybrid piezoelectrics and mitigated these issues.
- Yuzhong Hu
- , Kaushik Parida
- & Hong Jin Fan
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Article
| Open AccessAtomistic deformation mechanism of silicon under laser-driven shock compression
Understanding the how silicon deforms under pressure is important for several fields, including planetary science and materials design. Laser-driven shock compression experiments now confirm that shear stress generated during compression is released via a high-pressure phase transition.
- Silvia Pandolfi
- , S. Brennan Brown
- & A. E. Gleason
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Article
| Open AccessRevealing the role of liquid preordering in crystallisation of supercooled liquids
In classical nucleation theory, structural order in the liquid phase is not considered. But simulations of supercooled liquids now show that crystal-like liquid preordering play an essential role in nucleation and growth processes - calling for extensions of the classical theory.
- Yuan-Chao Hu
- & Hajime Tanaka
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Article
| Open AccessRobust prediction of force chains in jammed solids using graph neural networks
The emergence of correlated and self-organized linear structures, known as force chains, is relevant for granular materials, foams, emulsions, and extreme active matter. The authors develop a machine learning-based approach to predict force chain formation in jammed disordered solids under deformation.
- Rituparno Mandal
- , Corneel Casert
- & Peter Sollich
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Article
| Open AccessIn situ atomic-scale observation of dislocation climb and grain boundary evolution in nanostructured metal
Dislocation climb is crucial to plasticity and creep of materials. Here, the authors report real-time atomic-scale observations of grain boundary dislocation climb in nanostructured Au at room temperature. The dislocation climb occurs by reconstruction of two atomic columns in the dislocation core.
- Shufen Chu
- , Pan Liu
- & Mingwei Chen
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Article
| Open AccessThe ω3 scaling of the vibrational density of states in quasi-2D nanoconfined solids
A description of the vibrational properties of amorphous ice confined in graphene oxide membranes, as an exemplary nanoconfined material, is presented. Inelastic neutron scattering experiments and molecular dynamics simulations show anomalous deviations from standard bulk behavior.
- Yuanxi Yu
- , Chenxing Yang
- & Liang Hong
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Article
| Open AccessDeciphering the phase transition-induced ultrahigh piezoresponse in (K,Na)NbO3-based piezoceramics
Functional oxides with coexisting states of comparable energy typically exhibit extraordinary responses to external stimuli. Here, the authors demonstrate that coexisting phase structures provide large electric field-triggered volume change.
- Mao-Hua Zhang
- , Chen Shen
- & Manuel Hinterstein
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Article
| Open AccessExperimental realization of one dimensional helium
Helium isotopes are interesting platforms for testing the quantum properties of fluids. Here the authors demonstrate quantum one-dimensional behaviour of helium (4He) confined in nanopores by using neutron scattering.
- Adrian Del Maestro
- , Nathan S. Nichols
- & Paul E. Sokol
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Article
| Open AccessStructural independence of hydrogen-bond symmetrisation dynamics at extreme pressure conditions
The authors use in-situ high pressure nuclear magnetic resonance spectroscopy in diamond anvil cells to show that at all observed H-bond environments undergo a distinct maximum in hydrogen mobility regardless of the structure of the compounds.
- Thomas Meier
- , Florian Trybel
- & Leonid Dubrovinsky
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Article
| Open AccessImaging the facet surface strain state of supported multi-faceted Pt nanoparticles during reaction
Understanding strain dynamics and their relationship with crystallographic facets have been largely unexplored. Here the authors demonstrate how the 3D lattice displacement and strain evolution depend on the crystallographic facets of Pt nanoparticles during CO oxidation reaction, providing new insights in the relationship between facet-related surface strain and chemistry.
- Maxime Dupraz
- , Ni Li
- & Marie-Ingrid Richard
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Article
| Open AccessStructural complexity in ramp-compressed sodium to 480 GPa
The properties of materials can be drastically modified under extreme pressure. Here the authors investigate ramp-compressed sodium to 5 million atmospheres with in situ X-ray diffraction and optical reflectivity, revealing a complex temperature-driven polymorphism and suggesting the formation of a previously predicted electride phase.
- Danae N. Polsin
- , Amy Lazicki
- & J. Ryan Rygg
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Article
| Open AccessUnderstanding the rheology of nanocontacts
The rigidity of solid nanocontacts formed when metals touch is apparently lost liquidlike under large mechanical oscillations. As we show theoretically, there is no melting but oscillated nanocontacts undergo a remarkable reversible stick-slip rheology.
- Ali Khosravi
- , Antoine Lainé
- & Erio Tosatti
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Article
| Open AccessExperimental evidence of tetrahedral symmetry breaking in SiO2 glass under pressure
Understanding the structural origin of the anomalous properties of SiO2 liquid and glass at high pressures is fundamental in wide range of scientific fields. Here, the authors find experimental evidence of a bimodal behavior in the translational order of silicon’s second shell and breaking of local tetrahedral symmetry in SiO2 glass under pressure.
- Yoshio Kono
- , Koji Ohara
- & Makina Yabashi
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Article
| Open AccessQ-dependent collective relaxation dynamics of glass-forming liquid Ca0.4K0.6(NO3)1.4 investigated by wide-angle neutron spin-echo
Length scale dependence is important for understanding the collective relaxation dynamics in glass-forming liquids. Here, the authors find in liquid Ca0.4K0.6(NO3)1.4 a change in the dominant relaxation mechanisms around 2.6 Å, below which the relaxation process exhibits a temperature independent distribution and more Arrhenius-like behavior.
- Peng Luo
- , Yanqin Zhai
- & Y Z
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Article
| Open AccessArgyrodite-type advanced lithium conductors and transport mechanisms beyond paddle-wheel effect
Fundamental mechanisms governing the superionic behaviour in solid-state Li-ion batteries are under debate. Here the authors investigate computationally the mechanism of superionic lithium-ion conduction and predict new advanced lithium superionic conductors.
- Hong Fang
- & Puru Jena
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Article
| Open AccessHypervalency in amorphous chalcogenides
The current study explores by ab-initio molecular dynamics simuations the concept of hypervalency in amorphous chalcogenide materials, from which a unified conceptual framework for understanding chemical bonding, microscopic structures, and structure-property relationships is established.
- T. H. Lee
- & S. R. Elliott
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Article
| Open AccessCharge density waves and Fermi surface reconstruction in the clean overdoped cuprate superconductor Tl2Ba2CuO6+δ
The origin of the Fermi surface reconstruction that occurs in cuprate superconductors as hole doping increases remains unclear. Here, the authors observe long range charge density wave (CDW) order in the overdoped single-layer cuprate Tl2Ba2CuO6+δ, which then disappears above a hole concentration 0.265, suggesting a correlation between Fermi surface reconstruction and the emergence of the CDW.
- C. C. Tam
- , M. Zhu
- & S. M. Hayden
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Article
| Open AccessThe Fe-FeSi phase diagram at Mercury’s core conditions
The iron-silicon phase diagram has been established at the conditions of Mercury’s core. The resulting phase diagram is remarkably complex, and presents an array of new mechanisms which may power Mercury’s inner dynamo.
- E. Edmund
- , G. Morard
- & D. Antonangeli
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Article
| Open AccessEvolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents
Tailoring the macroscopic properties of deep eutectic solvents requires knowing how these depend on the local structure and microscopic dynamics. The authors, with computational and experimental tools spanning a wide range of space- and timescales, shed light into the relationship between micro and macroscopic properties in glyceline and ethaline.
- Stephanie Spittle
- , Derrick Poe
- & Joshua Sangoro
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Article
| Open AccessCompetition between crystal growth and intracrystalline chain diffusion determines the lamellar thickness in semicrystalline polymers
The mechanism of crystal thickness selection in semi-crystalline polymers is unclear but intracrystalline chain diffusion has been shown to have a role. Here, the authors report on observations related to poly(oxymethylene) with slow intra-crystalline chain diffusion to fill the knowledge gaps between fast and absent diffusion systems
- Martha Schulz
- , Mareen Schäfer
- & Thomas Thurn-Albrecht
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Article
| Open AccessStructure-dynamics relationships in cryogenically deformed bulk metallic glass
Understanding of the atomic-scale mechanisms of rejuvenation of bulk metallic glass still remains unclear. Here, using configurational entropy derived from X-ray experiments, authors show a clear picture of the relaxation process during annealing of a metallic glass.
- Florian Spieckermann
- , Daniel Şopu
- & Jürgen Eckert
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Article
| Open AccessFolded network and structural transition in molten tin
Unraveling the structural origin of liquid anomalies remains a challenging topic. Xu et al. propose a folded-network structural model for molten tin and provide insights into the observed second-order-like structural transition.
- Liang Xu
- , Zhigang Wang
- & Howard Sheng
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Article
| Open AccessObservation of elastic spin with chiral meta-sources
’Following up on the recent theoretical demonstration here the authors bring us a step closer to the real implementation of efficient ultrasonic chiral sources. They experimentally demonstrate the presence of elastic spin waves, Rayleigh and Lamb waves, generated by a chiral-meta source, characterizing their basic properties.
- Weitao Yuan
- , Chenwen Yang
- & Jie Ren
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Article
| Open AccessHigh-temperature superconductivity on the verge of a structural instability in lanthanum superhydride
The experimental studies to understand the superconductivity of superhydrides remain scarce. Here, the authors report pressure and magnetic field dependence of superconductivity in LaH10, and indicate lattice vibrations strongly affect superconducting coupling.
- Dan Sun
- , Vasily S. Minkov
- & Fedor F. Balakirev
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Article
| Open AccessDirect observation of one-dimensional disordered diffusion channel in a chain-like thermoelectric with ultralow thermal conductivity
Disordered, diffusive atoms are rarely found in simple crystalline solids. Here, the authors observe one-dimensional disordered diffusion channel in a simple chain-like thermoelectric InTe with ultralow thermal conductivity.
- Jiawei Zhang
- , Nikolaj Roth
- & Bo B. Iversen
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Article
| Open AccessRobust recognition and exploratory analysis of crystal structures via Bayesian deep learning
The present manuscript reports a Bayesian deep-learning approach for the automatic, robust classification of polycrystalline systems of both synthetic and experimental origin. The unsupervised analysis of the internal neural-network representations reveals physically understandable patterns.
- Andreas Leitherer
- , Angelo Ziletti
- & Luca M. Ghiringhelli
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Article
| Open AccessFormation of a single quasicrystal upon collision of multiple grains
Quasicrystals exhibit long-range order without periodicity. The authors report an approach for quasicrystal fabrication and show through in situ imaging and corresponding simulations the formation of a single decagonal quasicrystal arising from coalescence of multiple quasicrystals in a liquid.
- Insung Han
- , Kelly L. Wang
- & Ashwin J. Shahani
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Article
| Open AccessLocal-electrostatics-induced oxygen octahedral distortion in perovskite oxides and insight into the structure of Ruddlesden–Popper phases
The authors observe two-dimensional shear faults in five different perovskite-type materials and detailed structures of more than 80 oxides and halides to elucidate an electrostatic origin for Jahn–Teller-type tetragonal distortion of oxygen octahedra.
- Youngjae Hong
- , Pilgyu Byeon
- & Sung-Yoon Chung
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Article
| Open AccessInverse design of glass structure with deep graph neural networks
The inverse design of the material for given target property is challenging for glasses due to their disordered non-prototypical structure. Wang and Zhang propose a data-driven property oriented inverse approach for design of glassy materials with desired functionalities.
- Qi Wang
- & Longfei Zhang
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Article
| Open AccessPolarized X-ray scattering measures molecular orientation in polymer-grafted nanoparticles
The orientation of polymer chains in the corona of polymer-grafted nanoparticles has never been measured. Here, the authors use polarized resonant soft X-ray scattering to measure local chain orientation in polystyrene grafted gold nanoparticles and quantify the thickness of the anisotropic region of the corona as well as the extent of chain orientation within it.
- Subhrangsu Mukherjee
- , Jason K. Streit
- & Dean M. DeLongchamp
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Article
| Open AccessAtomic-scale unveiling of multiphase evolution during hydrated Zn-ion insertion in vanadium oxide
The detailed understanding of the structural variations during cycling in cathodes for Zn-ion aqueous rechargeable batteries is still limited. Here, the authors utilize atomic-column-resolved scanning transmission electron microscopy to elucidate multiphase evolution during hydrated Zn-Ion insertion in vanadium oxide.
- Pilgyu Byeon
- , Youngjae Hong
- & Sung-Yoon Chung
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Article
| Open AccessContinuous-wave upconversion lasing with a sub-10 W cm−2 threshold enabled by atomic disorder in the host matrix
Upconversion microlasers present a lot of advantages but also require high pumping powers. Here the authors present a high-performing microlaser based on anti-Stokes-shift in upconversion nanoparticles synthesized using a technique of liquid quenching.
- Byeong-Seok Moon
- , Tae Kyung Lee
- & Dong-Hwan Kim
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Article
| Open AccessObservation of laser-assisted electron scattering in superfluid helium
Laser-assisted electron scattering (LAES) is a commonly observed strong field process in gas phase systems. Here the authors use helium droplets with core atoms and molecules to observe increased electron energy due to multiple LAES events within the droplets.
- Leonhard Treiber
- , Bernhard Thaler
- & Markus Koch
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Article
| Open AccessRevealing thermally-activated nucleation pathways of diffusionless solid-to-solid transition
Normally the diffusionless solid-to-solid transition between phases are driven by athermal processes, due to strain being overwhelmingly dominant. Here, the authors present a unique series of in-situ particle level observations of the solid-to-solid transition in colloidal particles suspended in a solvent, revealing new transition pathways.
- Minhuan Li
- , Zhengyuan Yue
- & Peng Tan
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Article
| Open AccessDecoupling between calorimetric and dynamical glass transitions in high-entropy metallic glasses
Here the authors study thermodynamic and dynamic glass transition of high entropy metallic glasses. Results show retarded α-relaxation and distinct crystallization resistance attributed to their sluggish diffusion and high-entropy mixing that is different from the traditional metallic glasses.
- Jing Jiang
- , Zhen Lu
- & Mingwei Chen
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Article
| Open AccessPump-probe X-ray holographic imaging of laser-induced cavitation bubbles with femtosecond FEL pulses
Cavitation bubbles show many nonlinear characteristics of liquid and gas phase. Here the authors demonstrate coherent diffractive imaging of cavitation bubble using infrared pump and XFEL probe and discuss the formation and evolution of the bubbles.
- M. Vassholz
- , H. P. Hoeppe
- & T. Salditt
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Comment
| Open AccessThe everlasting hunt for new ice phases
Water ice exists in hugely different environments, artificially or naturally occurring ones across the universe. The phase diagram of crystalline phases of ice is still under construction: a high-pressure phase, ice XIX, has just been reported but its structure remains ambiguous.
- Thomas C. Hansen
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Article
| Open AccessStructure and nature of ice XIX
Water’s phase diagram exhibits several hydrogen-disordered phases which become ordered upon cooling, but the behavior of ice VI is still debated. The authors, using high-pressure neutron diffraction, identify structural distortions that transform ice VI into ice XIX, here identified as a hydrogen disordered phase.
- Christoph G. Salzmann
- , John S. Loveday
- & Craig L. Bull
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Article
| Open AccessSpin texture induced by non-magnetic doping and spin dynamics in 2D triangular lattice antiferromagnet h-Y(Mn,Al)O3
In geometrically frustrated magnets small perturbations, such as non-magnetic impurities, can significantly alter the ground state. Here, using inelastic neutron scattering, Park et al. explore such a situation in Al-doped h-YMnO3, where the Aluminum dopants induce an extended spin structure.
- Pyeongjae Park
- , Kisoo Park
- & Je-Geun Park
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Article
| Open AccessDirect identification of Mott Hubbard band pattern beyond charge density wave superlattice in monolayer 1T-NbSe2
The relationship between Mott state and charge density wave state in two dimensional materials remains unclear. Here, Liu et al. reveal spatial distribution of a Mott-Hubbard band in monolayer 1T-NbSe2 forming a new periodic pattern in addition to the well-known CDW pattern.
- Liwei Liu
- , Han Yang
- & Yeliang Wang
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Article
| Open AccessDiffusion in dense supercritical methane from quasi-elastic neutron scattering measurements
Methane is abundant in the Universe, is an important energy carrier and a model system for fundamental studies. Here, the authors measure the self-diffusion coefficient of supercritical methane at ambient temperature up to the freezing pressure, and find a different behavior than expected based on previous models.
- Umbertoluca Ranieri
- , Stefan Klotz
- & Livia E. Bove