Evolution and self-assembly of tetrameric proteins
Proteins are molecules that serve as building blocks of cells and comprise much
of their machinery. Although some proteins function as single molecules, most
work in small groups, or complexes, such as pairs (dimers) or groups of four
(tetramers). The clusters may be seen roughly as being held together by sticky
patches on the proteins’ surfaces; dimers are thus held together by a single
patch on each protein, while tetrameric proteins, the concern of the present
work, have two patches.
In this paper, the authors use a simple model of proteins to provide an
explanation for several aspects of the evolution and self-assembly of a large
class of proteins. In particularly, by studying the thermodynamic constraints on
this evolution, we were able to rationalize the findings of Levy et al. recently
reported in Nature. Using the case study of the evolution of tetramers from
dimers by the growth of a new sticky patch on a dimeric protein, we were able to
show that the newer patch is likely to be weaker than the older patch, and that
as a consequence the resulting tetramers are likely to assemble in two steps: by
pairing into dimers, and these dimers then pairing into tetramers.
***
BA11045
A Lattice approach to graphene
Graphene, a sheet of carbon atoms arranged in a honeycomb structure,
holds great promise for its potential technological
applications, as the electrons can flow through the sheet almost
unimpeded. However, applications such as microelectronics
require a semiconducting material, in which the electrical conduction
can be controlled by varying the temperature or by
applying an external voltage. Thus, the issue of whether graphene
could become semiconducting or even insulating is of
great significance.
In our recent article, we provide evidence in favor of the
semiconducting scenario in freely suspended graphene sheets,
where the strength of the interaction between electrons is maximal.
We also remain consistent with the known properties of
graphene on a substrate (such as silicon dioxide), where this
interaction is much weaker. Our results are based on Monte
Carlo simulations of Lattice Field Theory, a calculational technique
familiar from nuclear and particle physics. This method
is applicable to strongly coupled problems, and fully accounts for
the quantum nature of the electrons and their
interactions. Our results represent a timely prediction, as the
experimental situation concerning suspended graphene is
rapidly evolving.
***
LW11067
Isospin dependence of incomplete fusion reactions at 25 MeV/nucleon
When two heavy atomic nuclei undergo a head-on collision, the so-called
nuclear fusion phenomenon may occur, resulting in the production of a
heavier nuclear specie. This fascinating phenomenon has attracted the
interest of a large of community of scientists because it opens
important opportunities in producing super-heavy elements, not yet
identified on the periodic table of the elements. The study of fusion in
nuclear reactions has however hardly addressed the effects induced by
the asymmetry in neutron and proton numbers of the initial colliding
projectile and target atomic nuclei. This article shows, for the first
time, that fusion and the production of a heavy nucleus at high
excitations is more likely to occur if projectile and target colliding
nuclei with a large neutron number excess are used, as compared to the
case of collisions between symmetric nuclei made of roughly the same
number of neutrons and protons.
The obtained results also provide quantitative information about the
equation of state of neutron-rich nuclear matter, key to understanding
the structure of exotic nuclei as well as important phenomena occurring
in astrophysics environments such as the inner crust of neutron stars
and supernovae explosions.
The discoveries described in the present article open important
perspectives at the forthcoming accelerators facilities for radioactive
beams that will be available all over the world in the next decades
(FRIB in USA, SPIRAL2 in Europe and RIKEN in Japan). These facilities
will indeed provide unique tools to improve our investigations aimed at
producing super-heavy nuclei and better explore the role of the equation
of state of asymmetric nuclear matter.
***
LY11084
Charged atoms make helium freeze
Quantum mechanical effects prevent superfluid helium from solidifying, even at a temperature of absolute zero, a property unique among all elements. Pressures above 25 bar are needed to overcome the repulsion of He atoms and force them into a crystalline structure. We have shown that the injection of atomic ions (Cs+, Rb+) into pressurized superfluid helium induces He crystal growth along a direction imposed by an applied electric field. The ions act as heterogeneous nucleation centers for the crystallization, in the same way as dust condenses water vapor to form clouds. It has been known for 50 years that positive ions trap He atoms into a solid crust, a structure known as snowball. Our observation is the first manifestation of a macroscopic conglomerate of snowballs. Recently we have discovered that doped solid helium forms a macroscopic solid - which we call an iceberg - at pressures where pure helium is liquid. Our new observations support the hypothesis that icebergs contain snowballs and so-called electron bubbles, bound by Coulomb forces. It is likely that helium icebergs have an ionic crystalline structure with a nanometer-sized lattice constant, larger than in usual ionic crystals such as table salt.
***
BW10496

Spin fluctuations become soft in unexpected places in a triangular magnet
AgNiO2 is a very unusual material. Built of stacked, two-dimensional
nickel-oxygen planes, glued together by silver ions, it is both a metal and
a magnet. This, in itself, is not unusual. However the way in which
metallicity and magnetism combine is unique, with the magnetic ions in each
plane forming a perfect triangular lattice, nested within a honeycomb
network of conducting sites.
Quantum magnets on a triangular lattice have long been a source of
fascination because, for antiferromagnetic interactions, the geometry of the
lattice is incompatible with any simple form of magnetic order. This
property is known as geometrical frustration, and can lead to many
interesting new effects, including completely new states of magnetic matter.
In this paper we study the excitations of the magnetic nickel ions, using
inelastic neutron scattering. We find that the magnetic spectra can be
described using a model with competing antiferromagnetic interactions and
strong easy-axis anistoropy, which supports a "stripe-like" magnetically
ordered ground state, and dispersing "spin wave" excitations. However there
are a number of surprises. Not least among these is that the lowest energy
spin fluctuations at low temperatures occur at a completely different
crystal momentum from the stripe-like magnetic order. This raises the
prospect of new types of magnetic order if, for example, these fluctuations
control phase transitions in magnetic field.
***
LX11133
Aging and effective temperatures near a critical point
This paper presents the first experimental study, which relates the rather well-understood critical dynamics, of a second order phase transition, with the much less understood non-equilibrium dynamics of genuinely aging systems, such as glasses, spin glasses, colloids and polymers.
In order to make such a comparison we study the dynamics of the director fluctuations of a liquid crystal (LC) after a quench close to the Fréedericksz transition, which is a second order transition driven by an electric field. We analyse the data using concepts like aging originally introduced for glasses. Several theoreticians have pointed out previously that similar concepts should apply to dynamics after a quench in the vicinity of a critical point. The main virtue of the present paper is to test such an idea in an experiment. As a result we find the existence, in this rather simple and well-defined system, of a fluctuation dissipation relation with an effective temperature higher than that of the thermal bath. Furthermore the LC presents several properties of an aging system after the quench, such as power law scaling in times of correlation and response functions.
***
BZ10542

Selective Coupling between pi Bands and Optical Phonon Modes in Multilayer Graphene
The electron-phonon coupling is the main mechanism accouting for conventional superconductivity. Understanding of this scattering process generally requires an extensive study of both the electronic and phonon properties in the system. In this paper we have shown that in graphene and multilayer graphene, the selective coupling between the carbon $\pi$ bands and the in-plane optical phonon modes can be intuitively described based on a tight-binding model and the mode symmetry.
***
LT11565
Stimulated scattering and lasing of intersubband cavity polaritons
In this Letter, we show a new mechanism of lasing, involving not photons,
but an exotic type of excitations in a two-dimensional electron gas, the
so-called intersubband cavity polaritons. Our theory predicts that lasing in
such a system can occur well below electron population inversion, i.e., with
the
majority of electrons still in the ground level. The threshold in such
inversionless laser can be orders of magnitude lower than in normal lasers
based on
population inversion, with obvious consequences on lasers efficiency.
The scattering of bosons from an initial to a final state is enhanced by the
occupation of the final state. This remarkable property, usually referred as
"stimulated scattering" is
reminiscent of the stimulated emission of photons, which is the cornerstone
of lasing. However, intersubband cavity polaritons are not elementary bosons
and thus their ability
to undergo stimulated scattering has been, untill now, unclear, if not
controversial. In this letter, we have derived and solved an analytic theory
that, fully accounting for their
non-perfect bosonicity, demonstrates that intersubband cavity polaritons
scattering can indeed become stimulated, paving the way to the realization
of a new kind of room temperature
solid-state inversionless laser.
***
ES8922
Levels of complexity in scale-invariant neural signals
Recent investigations have demonstrated that integrated physiological
systems under neural regulation do not remain in equilibrium but rather
exhibit continuous complex fluctuations even under healthy basal conditions.
These fluctuations are often characterized by self-similar (fractal)
temporal
organization and long-term memory structure resembling the behavior of
physical systems away from equilibrium. The neural feedback mechanisms
leading to such non-equilibrium fluctuations are not known.
In this study we apply modern methods from statistical physics to quantify
linear and non-linear aspects of the dynamics generated by two physiologic
systems --- the human gait and the human heartbeat. The dynamics of both
systems originate in oscillatory centers and are under multiple component
neural control and thus, are believed to exhibit similar features, and to be
governed by similar mechanisms. We find that while the fluctuations in the
output of both gait and heartbeat processes are characterized by similar
power spectra and two-point correlation properties, they belong to different
classes of complexity --- human gait fluctuations exhibit close to linear
monofractal properties characterized by a single scaling exponent, while
heartbeat fluctuations exhibit non-linear multifractal properties, i.e.,
fractals within fractals, which in physical systems have been associated
with turbulence and related multi-scale phenomena.
This study provides new insights into the nature of the non-linear feedback
loops involved in the regulation of these key physiologic systems, which
will facilitate the development of adequate models of integrated neural
control as well as of novel diagnostic and prognostic markers of pathologic
deviations.
***
LY11114BR

Dance of silver in a glass
Solid electrolyte materials are the basis for batteries, chemical sensors,
and promising alternatives to conventional FLASH computer memory devices.
The physical process that enables these applications is the fast motion of
ions in the glassy matrix. It has long been a puzzle how ions could move so
quickly through the "jumbled" structure of a glass. One of the best-known
solid electrolytes is germanium selenide glass heavily doped with silver.
Chaudhuri and coworkers explored this material with ab initio techniques,
successfully forming structural models in agreement with diffraction
experiments, and determined where the silver is trapped in the network
(always two-coordinated between special pairs of host atoms). Unusually for
an MD simulation, the authors show that it is possible for this material to
directly simulate ion diffusion, and track the progression of the silver
ions through the disordered network. Between trapping events, the motion is
quite ballistic. The authors show that beside individual traps, there are
also "supertraps" present, which rapidly exchange silver ions. The
trajectories of hopping silver ions is reported, as is the temperature
dependence of the hopping.
***
lx11733
Teaching Quantum Dots how to Amplify Light
By squeezing the electrons in a semiconductor into a one dimensional sheet, the quantum well has been transformative for the generation and amplification of light. This one-dimensional confinement creates quantum mechanical effects which underpin the development of efficient lasers for telecommunications.
It was anticipated since the 1980’s that this squeezing effect would render even more dramatic effects in a three dimensional box - the quantum dot. The “colloidal” form of the quantum dot should theoretically have the most pronounced benefit since they are the smallest: they should enable broader spectral tuning based upon size, as well as offering ease of manipulation. Despite the anticipated benefits for laser applications, the colloidal quantum dot has not lived up to its initial promise. It was believed that interactions between electrons would block the desired amplification effect.
Kambhampati & co-workers recently showed that these semiconductor quantum dots yield universal and extraordinarily efficient optical amplification as predicted by theory. We discovered that one simply needs to “teach” the driving laser how to correctly drive the dot. While our pumping scheme nicely recovers the long anticipated benefits of squeezing electrons into a “quantum box”, we were surprised to find even more remarkable features of these colloidal quantum dots. In stark contrast to the ubiquitous quantum well or molecular gain media, we found that the spectrum of amplification may be controlled by the manner in which the dots are pumped.
***
LW11445
Nanomechanics of protein filaments adsorbed to interfaces
In the human body, cells move within filamentous protein scaffolds. To
achieve motion, the cells have to create strong adhesion points with the
scaffold in the same way that a car needs tires to grip the ground in
order to achieve traction. At the cell level, the localized traction
forces induce a re-arrangement (remodeling) of the scaffolds that are
essential for the shaping of biological tissues. In our paper we
investigate this remodeling process at the nanoscale by manipulating
single protein filaments adsorbed to a surface using atomic force
microscopy. Theoretical arguments lead ot the conclusion that the filament
adsorbed to the surface experience a very high apparent viscosity, similar
to the viscosity of honey. This is a direct consequence of the adhesion
strength between the filament and the substrate. Our theoretical model
originally set-up to explain our nanoscale observations can be transferred
to a macroscopic experiment with a rubber band stuck on a honey-coated
glass slide.
***
BZR1101
Unique pairing state of iron-arsenic superconductors
The discovery of superconductivity with high transition temperatures in
iron-arsenic based compounds last spring fueled the hopes that a look from a
new perspective will solve the puzzle of the phenomenon. Until recently,
high temperature superconductivity was observed uniquely in the class of the
copper-oxygen materials and 20 years of intensive studies that have elapsed
since their discovery have revealed that the superconducting properties of
these materials are uniquely different from all other known cases. In our
recent articles we show that superconductivity in the iron compounds is
perplexing as well as, however, intrinsically different than in the
cuprates. Superconductors are materials that, when cooled below a point
known as the transition temperature, exhibit current flow without any
measurable loss of energy. This state arises due to the electrons forming
pairs, enabling them to behave identically. The collective flow of pairs
happens in such a way that a magnetic field is able to penetrate the
superconductor only up to a certain characteristic depth, known as the
London penetration depth. The study of field penetration as a function of
temperature provides vital information about the way the pairs are formed.
The results of our experiments reveal that pair formation in the
iron-arsenides proceeds differently than in any other known superconductor.
Understanding this difference may be a key to understanding the phenomenon
of high temperature superconductivity.
***
LA11813

Are magnetic impurities in graphene magnetic?
Transition metal (TM) atoms such as Fe or Co are frequent impurities in
various compounds. They may have localized magnetic moments which give
rise to interesting physical phenomena such as the Kondo effect, that is
an increase in electrical resistance of the metal with such impurities at
low temperatures, and may offer new computing paradigms via spintronics.
In this work we theoretically studied the structure, bonding and magnetism
of various TM atoms (all atoms from Sc to Zn, plus Au and Pt, which can
also be referred to as transition metals) embedded in graphene, a
two-dimensional semi-metal, by substituting one or two carbon atoms with
an aim to answer the simple, yet important question: "Are these impurities
in graphene magnetic?" Our results indicate that the TM atom-vacancy
complexes exhibit intriguing magnetic behavior. In particular, an Fe atom
adsorbed on a single vacancy is not magnetic, while the Fe-double vacancy
complex has a high magnetic moment. Surprisingly, Au and Cu atoms at
single vacancies are magnetic, an interesting result in the context of
spintronics. We also found that, for most metals, the bonding is strong,
which suggests the use of graphene with embedded TM atoms as the catalyst
in fuel cells.
***
BY10545
Solute diffusion trends in aluminum - computational approach
The diffusion coefficients of all technologically important alloying
elements in aluminum have been computed, using Density Functional
Theory in combination with Transition State Theory. Within the
framework of the so-called five-frequency rate model, various atom-
vacancy interchanges near solute atom are taken into account. However
only one of two types of microscopic transition mechanism dominates
macroscopic solute diffusion: impurity-vacancy or aluminum-vacancy
interchanges.
We found that transition elements are slow diffusers. Diffusion is
dominated by slow solute-vacancy interchanges, which are, we argue,
due to spd-hybridization of bonds, making bonds directional.
Diffusion coefficients for these elements do not depend on impurity
size, but show strong trends with number of d-electrons.
The diffusion of other elements in aluminum is dominated by the
transition rate of aluminum-vacancy interchanges and is much closer
to self-diffusion coefficient of aluminum. Linear dependence is
observed between activation energy for diffusion and the size of the
impurity, with larger solutes diffusing faster. This observation can
be used as heuristics for impurity diffusion in other materials with
a closed-packed structure.
***
LX11587B
Decoherence Or Not: A Coherence Preserving State
Quantum coherence in terms of state superposition is one of the most
important features of quantum mechanics and key to the realization of
quantum computation. Usually, the unavoidable environment would render the
quantum object decohered. With the aid of a one-dimensional model
extracted from that an electron spin decoheres in a three-dimensional
quantum dot, in this paper, we show that, the conventional understanding
to decoherence is incomplete. Besides the bath-traced electron spin
coherence description, the entanglement of the bath is indispensible to
present a complete description of the coherence state of the whole system.
The time evolution of electron spin coherence predominated by zero value
but with periodic instantaneous coherence revival was often considered as
the realization of complete decoherence. We found that, however, this is
actually a coherence-preserving phase, sustained by highly-entangled
environment while the true decoherence state corresponds to a disentangled
environment. This result challenges the conventional understanding to
decoherence. Moreover, since decoherence is usually accepted as a
criterion of the realization of quantum measurement, our result also
challenges the postulates of the quantum measurement on the unicity of the
criterion.
***LZ11406BJ
Theory of Spontaneous Buckling of Doped Graphene
Graphene is a solid made of carbon atoms. However, contrary to other solids,
whose atoms are organized in all three dimensions (they have height, width,
and depth), Graphene is built of only one layer of atoms, making it the
ultimate membrane. In this sense Graphene is similar to a sheet of paper,
however million times thinner! We know that a piece of paper, when a force
is exerted on its sides, is buckled: corrugations and ripples are formed on
it with some characteristic size. A new theory, developed in this paper,
shows that in Graphene such buckling, i.e. the appearance of corrugation and
ripples, does not demand any force. In fact, the theory predicts that
buckling is induced in Graphene just by doping Graphene, i.e. injecting
foreign particles into it. However, this property gets even weirder. In
order for this buckling to occur, these particles have to be of positive
charge. This kind of buckling would not occur for negative charges!
The importance of this property goes beyond the theoretical interest, since
Graphene is considered one of the prospect materials for nanometer-sized
electronics. As a result, it is prominent to know its structure when being
infiltrated by external charge, for quality assurance and for the design of
these future applications.
***
BV10960
Hydrogen: the dominant impurity in zinc oxide materials
Zinc oxide (ZnO), a wide band-gap semiconductor, is a candidate for
relatively low-cost application in a broad range of electronic devices
such as light emitters and sensors. Understanding the structure and role
of lattice defects in ZnO in order to explain or to engineer its
physical properties could be a major step towards the realization of
such application. In spite of decades of study and progress in ZnO
research unresolved controversies remain, mainly related to the role of
hydrogen in ZnO and the native defects formed during crystal growth.
Hydrogen may be easily incorporated into materials and may also strongly
impact the properties of electronic devices by creating
electrically-active defects. In this paper we report on a systematic
investigation of undoped, high-quality, commercially-available ZnO
single crystals from various suppliers. Our research revealed the
presence of hydrogen in all crystals studied, in a bound state at
concentrations of at least 0.3 atomic percent - appreciably higher than
those of other impurities and the usual semiconductor doping levels.
Further, by combining positron annihilation experiments with
state-of-the-art calculations, we have identified zinc vacancy-hydrogen
complexes as an important class of hydrogen-related defects in ZnO.
***
BY10524
High spin-polarization effect in cylindrical quantum wires by reducing
symmetry
We address effects associated to tuning ground-state spin character
according to (+/-) z-propagation direction in cylindrical symmetry based
quantum wires. Cross-section symmetry reduction plus spin-orbit
interaction lead to notably high degree of spin-polarized currents at low
velocity (kz) values. In contrast to the perfect cylindrical wire case
where there are always two-fold spin degenerate levels at any fixed value
of kz, regardless its propagation direction, a semi-cylindrical
confinement gives rise to an energy splitting of two-fold degenerate wire
levels produced by different Dresselhaus spin-orbit interaction terms that
preserve spin-polarization at small values of kz. These findings open
possibilities of exploring low velocity transport in quasi-1D
nanostructures based on the existing preferential spin-channels according
to the propagation direction of spin-polarized carriers. We found
conditions with more than 90% degree of spin-polarized currents in each
spin-up and spin-down independent channel. This result, based solely on
lowered spatial symmetry of quasi-one-dimensional nanostructures, enables
the realization of spin-filters and tuned spin-polarized current densities
along parallel propagation directions.





