Featured
-
-
Article
| Open AccessSemiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules
Many interesting chemical problems like photosynthesis and photovoltaics involve non-adiabatic dynamical phenomena, which are difficult to predict theoretically. Here, the authors develop a new numerical method capable of recovering quantum interferences that are neglected by conventional methods.
- Vyacheslav N. Gorshkov
- , Sergei Tretiak
- & Dmitry Mozyrsky
-
Article
| Open AccessThe thermodynamic patterns of eukaryotic genes suggest a mechanism for intron–exon recognition
The thermodynamics of unwinding polynucleotide duplexes can be determined from energy changes for DNA and mRNA interactions. Here the authors show that the ratio between mRNA/DNA and DNA/DNA duplex stability upstream of the 3′- spice sites is a characteristic that can contribute to intron–exon recognition.
- Marina N. Nedelcheva-Veleva
- , Mihail Sarov
- & Stoyno S. Stoynov
-
Article |
Liquid–liquid transition in a strong bulk metallic glass-forming liquid
The nature of liquid–liquid phase transitions remains inconclusive, because direct experimental evidence is limited by crystallization. Wei et al.observe it in a bulk metallic glass former, which is characterized by heat capacity maxima and sudden changes in both viscosity and local structures.
- Shuai Wei
- , Fan Yang
- & Ralf Busch
-
Article
| Open AccessQuantum simulation of low-temperature metallic liquid hydrogen
The melting temperature of hydrogen drops at high pressures, which suggests the possible emergence of a low-temperature liquid state of metallic hydrogen. Chen et al.confirm the existence of this phase in simulations and show how the quantum motion of the protons has a critical role in its stabilization.
- Ji Chen
- , Xin-Zheng Li
- & Enge Wang
-
Article |
Truly work-like work extraction via a single-shot analysis
Thermodynamics and information theory are closely related but the fundamental limitations of this relation are difficult to determine. Combining concepts from one-shot information theory, probability theory and statistical mechanics, the author quantifies extractable work in a non-equilibrium system.
- Johan Åberg
-
Article |
Fundamental limitations for quantum and nanoscale thermodynamics
The usual laws of thermodynamics that are valid for macroscopic systems do not necessarily apply to the nanoscale, where quantum effects become important. Here, the authors develop a theoretical framework based on quantum information theory to properly treat thermodynamics at the nanoscale.
- Michał Horodecki
- & Jonathan Oppenheim
-
Article |
Molecular adsorption induces the transformation of rhombohedral- to Bernal-stacking order in trilayer graphene
Although Bernal stacked trilayer graphene is believed to be the stable packing type, at temperatures below 1,000 °C the transformation from rhombohedral packing does not occur. Zhang et al.show that rhombohedral stacking can be converted to Bernal type by evaporating triazine onto graphene at 150 °C.
- Wenjing Zhang
- , Jiaxu Yan
- & Lain-Jong Li
-
Article |
Dipolar-energy-activated magnetic domain pattern transformation driven by thermal fluctuations
Magnetic domain patterns and the capability to control them is important for applications such as information storage. Here, Kronseder and colleagues find a metastable magnetic domain state with a domain width larger than the thermodynamically stable one as a result of reduced thermal fluctuations.
- M. Kronseder
- , M. Buchner
- & C.H. Back
-
Article |
Spectral non-uniform temperature and non-local heat transfer in the spin Seebeck effect
The spin Seebeck effect, which refers to a spin current induced by a temperature gradient, is experimentally well established but a comprehensive theoretical framework is still missing. Here the authors succeed in explaining the non-locality and in predicting a non-magnon origin of the effect.
- Konstantin S. Tikhonov
- , Jairo Sinova
- & Alexander M. Finkel’stein
-
Article |
A violation of the uncertainty principle implies a violation of the second law of thermodynamics
The laws of thermodynamics and of quantum mechanics are usually derived within different theoretical frameworks. But, Haenggi and Wehner show they are intimately related, such that a violation of quantum uncertainty would allow a heat cycle with a net work gain, violating the second law of thermodynamics.
- Esther Hänggi
- & Stephanie Wehner
-
Article
| Open AccessA two-atom electron pump
Transistors that operate by the passage of electrons through a single-dopant atom achieve the ultimate limit for the miniaturization of electronic devices, but only when multiple transistors are intimately connected can they become useful. Roche et al. demonstrate the equivalent of just this, connecting two such transistors to build a two-atom electron pump.
- B. Roche
- , R.-P. Riwar
- & X. Jehl
-
Article |
Controlling colloidal phase transitions with critical Casimir forces
Colloids consist of small particles distributed in another medium such as liquids or gases. Here, the demonstration that forces arising from the critical Casimir effect can control the interaction between particles offers new possibilities for the formation of colloidal nanostructures.
- Van Duc Nguyen
- , Suzanne Faber
- & Peter Schall
-
Article |
Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water
There are conflicting views about the symmetrical/asymmetrical nature of the hydrogen-bond network in water. This theoretical study reveals that water molecules in liquid form highly asymmetric hydrogen bonds and that this asymmetry relaxes rapidly towards an average symmetrical structure.
- Thomas D. Kühne
- & Rustam Z. Khaliullin
-
Article |
Structural modelling and mutant cycle analysis predict pharmacoresponsiveness of a Nav1.7 mutant channel
Mutations of the NaV1.7 voltage-gated sodium channel are implicated in abnormal pain signal transduction. Yang and colleagues perform structural modeling, mutant cycle analysis and electrophysiology on specific mutants and find that they can accurately predict their response profiles to channel blockers.
- Yang Yang
- , Sulayman D. Dib-Hajj
- & Stephen G. Waxman
-
Article
| Open AccessDistant residues mediate picomolar binding affinity of a protein cofactor
Flavodoxin requires tight binding of its FMN cofactor to be active, but the residues involved are unknown. In this biophysical study, FMN binding is shown to change from nanomolar to picomolar affinity on extremely slow protein relaxation and the residues responsible for cofactor binding are identified.
- Yves J.M. Bollen
- , Adrie H. Westphal
- & Carlo P.M. van Mierlo
-
Article |
Digital quantum simulation of the statistical mechanics of a frustrated magnet
Geometrically frustrated spin systems are a class of statistical mechanical models that have received widespread attention, especially in condensed matter physics. This study experimentally demonstrates a quantum information processor that can simulate the behaviour of such frustrated spin system.
- Jingfu Zhang
- , Man-Hong Yung
- & Jonathan Baugh
-
Article
| Open AccessStable prenucleation mineral clusters are liquid-like ionic polymers
Prenucleation clusters have been observed during the early stages of calcium carbonate formation, contrary to classical models. Here, computer simulations indicate that the clusters are composed of an ionic polymer with alternating calcium and carbonate ions, and a dynamic topology of chains, branches and rings.
- Raffaella Demichelis
- , Paolo Raiteri
- & Denis Gebauer
-
Article |
High pressure partially ionic phase of water ice
Dissociation of ice into an ionic solid is rare due to the high energy cost of proton transfer. In this study, structure search simulation is used to predict the formation of a partially ionic phase in ice at low temperature and high pressure, which consists of coupled alternate layers of hydroxide and hydronium.
- Yanchao Wang
- , Hanyu Liu
- & Yanming Ma
-
Article |
A high-rate long-life Li4Ti5O12/Li[Ni0.45Co0.1Mn1.45]O4 lithium-ion battery
Advanced rechargeable lithium-ion batteries have potential applications in the renewable energy and sustainable road transport fields. Junget al. have developed a lithium battery that uses pre-existing concepts but has highly competitive energy densities, life span and cycling properties.
- Hun-Gi Jung
- , Min Woo Jang
- & Bruno Scrosati
-
Article |
Rational design of a binary metal alloy for chemical vapour deposition growth of uniform single-layer graphene
Graphene may be used in nanoscale electronics and devices, but the ability to synthesise uniform graphene with well-controlled layer numbers is necessary for these applications. Using a Ni–Mo alloy, this study demonstrates single-layer graphene growth with 100% surface coverage and tolerance to variations in growth conditions.
- Boya Dai
- , Lei Fu
- & Zhongfan Liu
-
Article
| Open AccessTheoretical models of nonlinear effects in two-component cooperative supramolecular copolymerizations
In multi-component mixtures of self-assembling molecules, small differences in association energy between components can be amplified by nonlinear effects. This theoretical investigation of self-assembling systems rationalizes chiral amplification in cooperative supramolecular copolymerizations.
- Albert J. Markvoort
- , Huub M.M. ten Eikelder
- & E.W. Meijer
-
Article |
Superconductivity at 5 K in alkali-metal-doped phenanthrene
Intercalating alkali metals into picene—a hydrocarbon with five linearly fused benzene rings—results in superconducting materials. Now, alkali-metal-doped phenanthrene, which consists of three fused benzene rings, is also found to be superconducting, opening up a broader class of organic superconductors.
- X.F. Wang
- , R.H. Liu
- & X.H. Chen
-
Article
| Open AccessHigh pressure route to generate magnetic monopole dimers in spin ice
Spin ices are magnetic materials in which excitations equivalent to monopoles can occur. Using high-pressure techniques, Zhouet al. synthesize a new member of the spin ice family, Dy2Ge2O7, in which monopoles exist at higher densities, and can stabilize as dimers.
- H.D. Zhou
- , S.T. Bramwell
- & J.S. Gardner
-
Article
| Open AccessA germanate transparent conductive oxide
Transparent conducting oxides are wide bandgap conductors that have found a range of applications in optoelectronic devices. In this study, Hosono and colleagues fabricate the first transparent conducting oxide based on germanium.
- Hiroshi Mizoguchi
- , Toshio Kamiya
- & Hideo Hosono
-
Article |
Surfactant-enabled epitaxy through control of growth mode with chemical boundary conditions
Property coupling by heteroepitaxy is severely limited in material combinations with highly dissimilar bonding. This report presents a chemical boundary condition methodology to actively engineer two-dimensional film growth in such systems that otherwise collapse into island formation and rough morphologies.
- Elizabeth A. Paisley
- , Mark. D. Losego
- & Jon-Paul Maria
-
Article
| Open AccessEvidence of superdense aluminium synthesized by ultrafast microexplosion
At extreme temperature and pressure, materials can form new dense phases with unusual physical properties. Here, laser-induced microexplosions are used to produce a superdense, stable, body-centred-cubic form of aluminium, which was previously predicted to exist at pressures above 380GPa.
- Arturas Vailionis
- , Eugene G. Gamaly
- & Saulius Juodkazis
-
Article
| Open AccessMeasuring single-nanoparticle wetting properties by freeze-fracture shadow-casting cryo-scanning electron microscopy
Being able to determine the wetting properties of individual nanoparticles would aid the preparation of particles with controlled surface properties. Isaet al. develop an in situ freeze-fracture shadow-casting method and use this to determine structural and thermodynamic properties of various 10 nm particles at fluid interfaces.
- Lucio Isa
- , Falk Lucas
- & Erik Reimhult
-
Article |
Direct imaging of Joule heating dynamics and temperature profiling inside a carbon nanotube interconnect
The use of carbon nanotubes in nanoelectronics requires an understanding of their resistive, or Joule, heating at interconnects. Here, Joule heating dynamics are imaged in real time by following the evolution of resistive hot spots with a transmission electron microscope.
- Pedro M.F.J. Costa
- , Ujjal K. Gautam
- & Dmitri Golberg
-
Article |
Iron-based cathode catalyst with enhanced power density in polymer electrolyte membrane fuel cells
Replacing platinum in polymer-electrolyte-membrane fuel cells with iron-based catalysts could provide low-cost power generators, but often leads to low power densities. Here, a new iron-based cathode catalyst is developed with enhanced power density, volumetric activity and mass-transport properties.
- Eric Proietti
- , Frédéric Jaouen
- & Jean-Pol Dodelet
-
Article
| Open AccessCalcium modulates force sensing by the von Willebrand factor A2 domain
von Willebrand factor (VWF) multimers mediate primary adhesion and aggregation of platelets. Jakobiet al. reveal a calcium-binding site in the VWF-A2 domain, and show that calcium binding encourages folding of the protein and has a role in mechanosensing.
- Arjen J. Jakobi
- , Alireza Mashaghi
- & Eric G. Huizinga
-
Article
| Open AccessPromotion of water-mediated carbon removal by nanostructured barium oxide/nickel interfaces in solid oxide fuel cells
Anodes composed of nickel/yttria-stabilized zirconia in solid oxide fuel cells are known to suffer from coking, which reduces their performance. Here, Yang and colleagues report a new barium oxide/nickel anode, which efficiently oxidizes fuel with minimum carbon buildup.
- Lei Yang
- , YongMan Choi
- & Meilin Liu
-
Article
| Open AccessColossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer
Negative thermal expansion—contraction upon heating—is an unusual process that may be exploited to produce materials with zero or other controlled thermal expansion values. Azumaet al. observe negative thermal expansion in BiNiO3which is a result of Bi/Ni charge-transfer transitions.
- Masaki Azuma
- , Wei-tin Chen
- & J. Paul Attfield
-
Article
| Open AccessReversible temperature regulation of electrical and thermal conductivity using liquid–solid phase transitions
Temperature-controlled regulation of thermal conductivity is difficult to achieve because thermal properties do not change significantly through solid-state phase transitions. Here temperature control of thermal conductivities is demonstrated using liquid–solid phase transitions in a nanoparticle suspension.
- Ruiting Zheng
- , Jinwei Gao
- & Gang Chen
-
Article |
Size and mechanics effects in surface-induced melting of nanoparticles
Melting-related phenomena are of fundamental and applied interest, but the melting theory is poorly understood. Levitas and Samani develop an advanced phase-field theory of melting coupled to mechanics that resolves existing contradictions and reveals the features of melting phenomena.
- Valery I Levitas
- & Kamran Samani
-
Article
| Open AccessGapless spin liquid of an organic triangular compound evidenced by thermodynamic measurements
Frustrated magnetic systems can form an exotic quantum spin-liquid ground state, in which strongly correlated spins fluctuate in the spin lattices. Here, the low-temperature electronic state of a charge-transfer compound is found to form a gapless spin liquid.
- Satoshi Yamashita
- , Takashi Yamamoto
- & Reizo Kato
-
Article
| Open AccessThe Meissner effect in a strongly underdoped cuprate above its critical temperature
In the pseudogap state of cuprates, although diamagnetic signals have been detected, a Meissner effect has never been observed. Morenzoni and colleagues probe the local diamagnetic response in the normal state of an underdoped layer showing that a 'barrier' layer exhibits a Meissner effect.
- Elvezio Morenzoni
- , Bastian M. Wojek
- & Ivan Božović
-
Article |
A microscopic view on the Mott transition in chromium-doped V2O3
The spatial scale over which metal–insulator transitions happen is not known, despite the importance of this phenomenon in basic and applied research. The authors show that in chromium-doped V2O3, with decreasing temperature, microscopic metallic domains coexist with an insulating background.
- S. Lupi
- , L. Baldassarre
- & M. Marsi
-
Article |
Protein-binding assays in biological liquids using microscale thermophoresis
Protein interactions in biological environments are expected to differ from the situationin vitro. In this study, a thermophoresis-based technique is described that allows the analysis of protein and small-molecule interactions in biological liquids; the work may allow more efficient drug development.
- Christoph J. Wienken
- , Philipp Baaske
- & Stefan Duhr
-
Article
| Open AccessUnveiling thermal transitions of polymers in subnanometre pores
Understanding the thermal transitions of confined polymers is important for the design of molecular scale devices. In this study, unusual thermal transitions are observed in polyethylene glycol chains incorporated in nanochannels of porous coordination polymers.
- Takashi Uemura
- , Nobuhiro Yanai
- & Susumu Kitagawa