2,682 research outputs found
Comparative study of theoretical methods for nonequilibrium quantum transport
We present a detailed comparison of three different methods designed to
tackle nonequilibrium quantum transport, namely the functional renormalization
group (fRG), the time-dependent density matrix renormalization group (tDMRG),
and the iterative summation of real-time path integrals (ISPI). For the
nonequilibrium single-impurity Anderson model (including a Zeeman term at the
impurity site), we demonstrate that the three methods are in quantitative
agreement over a wide range of parameters at the particle-hole symmetric point
as well as in the mixed-valence regime. We further compare these techniques
with two quantum Monte Carlo approaches and the time-dependent numerical
renormalization group method.Comment: 19 pages, 7 figures; published versio
Effect of hydrogen on the strength and microstructure of selected ceramics
Ceramics in monolithic form and as composite constituents in the form of fibers, matrices, and coatings are currently being considered for a variety of high-temperature applications in aeronautics and space. Many of these applications involve exposure to a hydrogen-containing environment. The compatibility of selected ceramics in gaseous high-temperature hydrogen is assessed. Environmental stability regimes for the long term use of ceramic materials are defined by the parameters of temperature, pressure, and moisture content. Thermodynamically predicted reactions between hydrogen and several monolithic ceramics are compared with actual performance in a controlled environment. Morphology of hydrogen attack and the corresponding strength degradation is reported for silicon carbide, silicon nitride, alumina, magnesia, and mullite
Non-Markovian dynamics of double quantum dot charge qubits due to acoustic phonons
We investigate the dynamics of a double quantum dot charge qubit which is
coupled to piezoelectric acoustic phonons, appropriate for GaAs
heterostructures. At low temperatures, the phonon bath induces a non-Markovian
dynamical behavior of the oscillations between the two charge states of the
double quantum dot. Upon applying the numerically exact quasiadiabatic
propagator path-integral scheme, the reduced density matrix of the charge qubit
is calculated, thereby avoiding the Born-Markov approximation. This allows a
systematic study of the dependence of the Q-factor on the lattice temperature,
on the size of the quantum dots, as well as on the interdot coupling. We
calculate the Q-factor for a recently realized experimental setup and find that
it is two orders of magnitudes larger than the measured value, indicating that
the decoherence due to phonons is a subordinate mechanism.Comment: 5 pages, 7 figures, replaced with the version to appear in Phys. Rev.
Exact results for nonlinear ac-transport through a resonant level model
We obtain exact results for the transport through a resonant level model
(noninteracting Anderson impurity model) for rectangular voltage bias as a
function of time. We study both the transient behavior after switching on the
tunneling at time t = 0 and the ensuing steady state behavior. Explicit
expressions are obtained for the ac-current in the linear response regime and
beyond for large voltage bias. Among other effects, we observe current ringing
and PAT (photon assisted tunneling) oscillations.Comment: 7 page
Phase II trial of weekly 24-hour infusion of gemcitabine in patients with advanced gallbladder and biliary tract carcinoma
BACKGROUND: Patients with advanced gallbladder and biliary tract carcinoma face a dismal prognosis, as no effective palliative chemotherapy exists. The antitumor effect of gemcitabine is schedule-dependent rather than dose-dependent. We evaluated the activity of a prolonged infusion of gemcitabine in advanced gallbladder and biliary tract carcinomas. METHODS: Nineteen consecutive eligible patients were enrolled. All patients were required to have histologically confirmed diagnosis and measurable disease. Gemcitabine was infused over 24 hours at a dose of 100 mg/m(2 )on days 1, 8, and 15. Treatment was repeated every 28 days until progression of disease or limiting toxicity. Tumor response was evaluated every second course by computed tomography (CT) scans. RESULTS: Eighteen patients were evaluable for response. A total of 89 cycles of therapy were administered. One partial response was observed (6%; 95% confidence interval (CI): 0–27%) and ten additional patients had stable disease for at least two months (disease control rate 61%; 95% CI: 36–83%). The therapy was well tolerated, with moderate myelosuppression as the main toxicity. The median time to tumor progression and median overall survival was 3.6 months (95% CI 2.6–4.6 months) and 7.5 months (95% CI 6.5–8.5 months), respectively. CONCLUSION: Weekly 24-hour gemcitabine at a dose of 100 mg/m(2 )is well tolerated. There was a relatively high rate of disease control for a median duration of 5.3 months (range 2.8–18.8 months). However, the objective response rate of this regimen in gallbladder and biliary tract carcinomas was limited
Quantum Transition State Theory for proton transfer reactions in enzymes
We consider the role of quantum effects in the transfer of hyrogen-like
species in enzyme-catalysed reactions. This study is stimulated by claims that
the observed magnitude and temperature dependence of kinetic isotope effects
imply that quantum tunneling below the energy barrier associated with the
transition state significantly enhances the reaction rate in many enzymes. We
use a path integral approach which provides a general framework to understand
tunneling in a quantum system which interacts with an environment at non-zero
temperature. Here the quantum system is the active site of the enzyme and the
environment is the surrounding protein and water. Tunneling well below the
barrier only occurs for temperatures less than a temperature which is
determined by the curvature of potential energy surface near the top of the
barrier. We argue that for most enzymes this temperature is less than room
temperature. For physically reasonable parameters quantum transition state
theory gives a quantitative description of the temperature dependence and
magnitude of kinetic isotope effects for two classes of enzymes which have been
claimed to exhibit signatures of quantum tunneling. The only quantum effects
are those associated with the transition state, both reflection at the barrier
top and tunneling just below the barrier. We establish that the friction due to
the environment is weak and only slightly modifies the reaction rate.
Furthermore, at room temperature and for typical energy barriers environmental
degrees of freedom with frequencies much less than 1000 cm do not have a
significant effect on quantum corrections to the reaction rate.Comment: Aspects of the article are discussed at
condensedconcepts.blogspot.co
Nonequilibrium transport in quantum impurity models: Exact path integral simulations
We simulate the nonequilibrium dynamics of two generic many-body quantum
impurity models by employing the recently developed iterative
influence-functional path integral method [Phys. Rev. B {\bf 82}, 205323
(2010)]. This general approach is presented here in the context of quantum
transport in molecular electronic junctions. Models of particular interest
include the single impurity Anderson model and the related spinless two-state
Anderson dot. In both cases we study the time evolution of the dot occupation
and the current characteristics at finite temperature. A comparison to
mean-field results is presented, when applicable
- …