36,954 research outputs found
Chemoviscosity modeling for thermosetting resin systems, part 3
A new analytical model for simulating chemoviscosity resin has been formulated. The model is developed by modifying the well established Williams-Landel-Ferry (WLF) theory in polymer rheology for thermoplastic materials. By introducing a relationship between the glass transition temperature (T sub g (t)) and the degree of cure alpha(t) of the resin system under cure, the WLF theory can be modified to account for the factor of reaction time. Temperature-dependent functions of the modified WLF theory parameters C sub 1 (T) and C sub 2 (T) were determined from the isothermal cure data. Theoretical predictions of the model for the resin under dynamic heating cure cycles were shown to compare favorably with the experimental data. This work represents a progress toward establishing a chemoviscosity model which is capable of not only describing viscosity profiles accurately under various cure cycles, but also correlating viscosity data to the changes of physical properties associated with the structural transformations of the thermosetting resin systems during cure
One-Dimensional Transition Metal-Benzene Sandwich Polymers: Possible Ideal Conductors for Spin Transport
We investigate the electronic and magnetic properties of the proposed
one-dimensional transition metal (TM=Sc, Ti, V, Cr, and Mn)-benzene (Bz)
sandwich polymers by means of density functional calculations.
[V(Bz)] is found to be a quasi-half-metallic ferromagnet and
half-metallic ferromagnetism is predicted for [Mn(Bz)]. Moreover, we
show that stretching the [TM(Bz)] polymers could have dramatic
effects on their electronic and magnetic properties. The elongated
[V(Bz)] displays half-metallic behavior, and [Mn(Bz)]
stretched to a certain degree becomes an antiferromagnetic insulator. The
possibilities to stabilize the ferromagnetic order in [V(Bz)] and
[Mn(Bz)] polymers at finite temperature are discussed. We suggest
that the hexagonal bundles composed by these polymers might display intrachain
ferromagnetic order at finite temperature by introducing interchain exchange
coupling
Electronic, Mechanical, and Piezoelectric Properties of ZnO Nanowires
Hexagonal [0001] nonpassivated ZnO nanowires are studied with density
functional calculations. The band gap and Young's modulus in nanowires which
are larger than those in bulk ZnO increase along with the decrease of the
radius of nanowires. We find ZnO nanowires have larger effective piezoelectric
constant than bulk ZnO due to their free boundary. In addition, the effective
piezoelectric constant in small ZnO nanowires doesn't depend monotonously on
the radius due to two competitive effects: elongation of the nanowires and
increase of the ratio of surface atoms
Eruption of a multi-flux-rope system in solar active region 12673 leading to the two largest flares in Solar Cycle 24
Solar active region (AR) 12673 in 2017 September produced two largest flares
in Solar Cycle 24: the X9.3 flare on September 06 and the X8.2 flare on
September 10. We attempt to investigate the evolutions of the two great flares
and their associated complex magnetic system in detail. Aided by the NLFFF
modeling, we identify a double-decker flux rope configuration above the
polarity inversion line (PIL) in the AR core region. The north ends of these
two flux ropes were rooted in a negative- polarity magnetic patch, which began
to move along the PIL and rotate anticlockwise before the X9.3 flare on
September 06. The strong shearing motion and rotation contributed to the
destabilization of the two magnetic flux ropes, of which the upper one
subsequently erupted upward due to the kink-instability. Then another two sets
of twisted loop bundles beside these ropes were disturbed and successively
erupted within 5 minutes like a chain reaction. Similarly, multiple ejecta
components were detected to consecutively erupt during the X8.2 flare occurring
in the same AR on September 10. We examine the evolution of the AR magnetic
fields from September 03 to 06 and find that five dipoles emerged successively
at the east of the main sunspot. The interactions between these dipoles took
place continuously, accompanied by magnetic flux cancellations and strong
shearing motions. In AR 12673, significant flux emergence and successive
interactions between the different emerging dipoles resulted in a complex
magnetic system, accompanied by the formations of multiple flux ropes and
twisted loop bundles. We propose that the eruptions of a multi-flux-rope system
resulted in the two largest flares in Solar Cycle 24.Comment: 10 pages, 8 figures. To be published in A&
Linear scaling calculation of band edge states and doped semiconductors
Linear scaling methods provide total energy, but no energy levels and
canonical wavefuctions. From the density matrix computed through the density
matrix purification methods, we propose an order-N (O(N)) method for
calculating both the energies and wavefuctions of band edge states, which are
important for optical properties and chemical reactions. In addition, we also
develop an O(N) algorithm to deal with doped semiconductors based on the O(N)
method for band edge states calculation. We illustrate the O(N) behavior of the
new method by applying it to boron nitride (BN) nanotubes and BN nanotubes with
an adsorbed hydrogen atom. The band gap of various BN nanotubes are
investigated systematicly and the acceptor levels of BN nanotubes with an
isolated adsorbed H atom are computed. Our methods are simple, robust, and
especially suited for the application in self-consistent field electronic
structure theory
Chemoviscosity modeling for thermosetting resins
A chemoviscosity model, which describes viscosity rise profiles accurately under various cure cycles, and correlates viscosity data to the changes of physical properties associated with structural transformations of the thermosetting resin system during cure, was established. Work completed on chemoviscosity modeling for thermosetting resins is reported
Necessary and sufficient conditions for local creation of quantum discord
We show that a local channel cannot create quantum discord (QD) for zero QD
states of size if and only if either it is a completely decohering
channel or it is a nontrivial isotropic channel. For the qubit case this
propertiy is additionally characteristic to the completely decohering channel
or the commutativity-preserving unital channel. In particular, the exact forms
of the completely decohering channel and the commutativity-preserving unital
qubit channel are proposed. Consequently, our results confirm and improve the
conjecture proposed by X. Hu et al. for the case of and improve the
result proposed by A. Streltsov et al. for the qubit case. Furthermore, it is
shown that a local channel nullifies QD in any state if and only if it is a
completely decohering channel. Based on our results, some protocols of quantum
information processing issues associated with QD, especially for the qubit
case, would be experimentally accessible.Comment: 8 page
- …