Energy-weighted density matrix embedding of open correlated chemical fragments

We present a multi-scale approach to efficiently embed an ab initio correlated chemical fragment described by its energy-weighted density matrices, and entangled with a wider mean-field many-electron system. This approach, first presented in Phys. Rev. B, 98, 235132 (2018), is here extended to account for realistic long-range interactions and broken symmetry states. The scheme allows for a systematically improvable description in the range of correlated fluctuations out of the fragment into the system, via a self-consistent optimization of a coupled auxiliary mean-field system. It is discussed that the method has rigorous limits equivalent to existing quantum embedding approaches of both dynamical mean-field theory, as well as density matrix embedding theory, to which this method is compared, and the importance of these correlated fluctuations is demonstrated. We derive a self-consistent local energy functional within the scheme, and demonstrate the approach for Hydrogen rings, where quantitative accuracy is achieved despite only a single atom being explicitly treated.Comment: 14 pages, 8 figure

Acute neuroinflammation induces AIS structural plasticity in a NOX2-dependent manner

Background Chronic microglia-mediated inflammation and oxidative stress are well-characterized underlying factors in neurodegenerative disease, whereby reactive inflammatory microglia enhance ROS production and impact neuronal integrity. Recently, it has been shown that during chronic inflammation, neuronal integrity is compromised through targeted disruption of the axon initial segment (AIS), the axonal domain critical for action potential initiation. AIS disruption was associated with contact by reactive inflammatory microglia which wrap around the AIS, increasing association with disease progression. While it is clear that chronic microglial inflammation and enhanced ROS production impact neuronal integrity, little is known about how acute microglial inflammation influences AIS stability. Here, we demonstrate that acute neuroinflammation induces AIS structural plasticity in a ROS-mediated and calpain-dependent manner. Methods C57BL/6J and NOX2−/− mice were given a single injection of lipopolysaccharide (LPS; 5 mg/kg) or vehicle (0.9% saline, 10 mL/kg) and analyzed at 6 h–2 weeks post-injection. Anti-inflammatory Didox (250 mg/kg) or vehicle (0.9% saline, 10 mL/kg) was administered beginning 24 h post-LPS injection and continued for 5 days; animals were analyzed 1 week post-injection. Microglial inflammation was assessed using immunohistochemistry (IHC) and RT-qPCR, and AIS integrity was quantitatively analyzed using ankyrinG immunolabeling. Data were statistically compared by one-way or two-way ANOVA where mean differences were significant as assessed using Tukey’s post hoc analysis. Results LPS-induced neuroinflammation, characterized by enhanced microglial inflammation and increased expression of ROS-producing enzymes, altered AIS protein clustering. Importantly, inflammation-induced AIS changes were reversed following resolution of microglial inflammation. Modulation of the inflammatory response using anti-inflammatory Didox, even after significant AIS disruption occurred, increased the rate of AIS recovery. qPCR and IHC analysis revealed that expression of microglial NOX2, a ROS-producing enzyme, was significantly increased correlating with AIS disruption. Furthermore, ablation of NOX2 prevented inflammation-induced AIS plasticity, suggesting that ROS drive AIS structural plasticity. Conclusions In the presence of acute microglial inflammation, the AIS undergoes an adaptive change that is capable of spontaneous recovery. Moreover, recovery can be therapeutically accelerated. Together, these findings underscore the dynamic capabilities of this domain in the presence of a pathological insult and provide evidence that the AIS is a viable therapeutic target

A Complex Chemical Potential: Signature of Decay in a Bose-Einstein Condensate

We explore the zero-temperature statics of an atomic Bose-Einstein condensate in which a Feshbach resonance creates a coupling to a second condensate component of quasi-bound molecules. Using a variational procedure to find the equation of state, the appearance of this binding is manifest in a collapsing ground state, where only the molecular condensate is present up to some critical density. Further, an excited state is seen to reproduce the usual low-density atomic condensate behavior in this system, but the molecular component is found to produce an underlying decay, quantified by the imaginary part of the chemical potential. Most importantly, the unique decay rate dependencies on density ($\sim \rho ^{3/2}$) and on scattering length ($\sim a^{5/2}$) can be measured in experimental tests of this theory.Comment: 4 pages, 1 figur

Bose-Fermi Mixtures in One Dimension

We analyze the phase stability and the response of a mixture of bosons and spin-polarized fermions in one dimension (1D). Unlike in 3D, phase separation happens for low fermion densities. The dynamics of the mixture at low energy is independent of the spin-statistics of the components, and zero-sound-like modes exist that are essentially undamped.Comment: 5 pages; 1 figur

NASA advanced aeronautics design solar powered remotely piloted vehicle

Environmental problems such as the depletion of the ozone layer and air pollution demand a change in traditional means of propulsion that is sensitive to the ecology. Solar powered propulsion is a favorable alternative that is both ecologically harmless as well as cost effective. Integration of solar energy into designs ranging from futuristic vehicles to heating is beneficial to society. The design and construction of a Multi-Purpose Remotely Piloted Vehicle (MPRPV) seeks to verify the feasibility of utilizing solar propulsion as a primary fuel source. This task has been a year long effort by a group of ten students, divided into five teams, each dealing with different aspects of the design. The aircraft was designed to take-off, climb to the design altitude, fly in a sustained figure-eight flight path, and cruise for approximately one hour. This mission requires flight at Reynolds numbers between 150,000 and 200,000 and demands special considerations in the aerodynamic design in order to achieve flight in this regime. Optimal performance requires a light weight configuration with both structural integrity and maximum power availability. The structure design and choice of solar cells for the propulsion was governed by the weight, efficiency, and cost considerations. The final design is a MPRPV weighting 35 N which cruises 7 m/s at the design altitude of 50 m. The configuration includes a wing composed of balsa and foam NACA 6409 airfoil sections and carbon fiber spars, a tail of similar construction, and a truss structure fuselage. The propulsion system consists of 98 10 percent efficient solar cells donated by Mobil Solar, a NiCad battery for energy storage, and a folding propeller regulated by a lightweight and efficient control system. The airfoils and propeller chosen for the design were research and tested during the design process

A Radio Galaxy at z=5.19

We report the discovery of the most distant known AGN, the radio galaxy TN J0924-2201 at z = 5.19. The radio source was selected from a new sample of ultra-steep spectrum (USS) sources, has an extreme radio spectral index alpha_365MHz^1.4GHz = -1.63, and is identified at near-IR wavelengths with a very faint, K = 21.3 +- 0.3 object. Spectroscopic observations show a single emission line at lambda ~ 7530A, which we identify as Ly-alpha. The K-band image, sampling rest frame U-band, shows a multi-component, radio-aligned morphology, typical of lower-redshift radio galaxies. TN J0924-2201 extends the near-IR Hubble, or K-z, relation for powerful radio galaxies to z > 5, and is consistent with models of massive galaxies forming at even higher redshifts.Comment: 11 Pages, including 3 PostScript figures. Accepted for publication in the Astrophysical Journal Letter

Thermodynamic curvature measures interactions

Thermodynamic fluctuation theory originated with Einstein who inverted the relation $S=k_B\ln\Omega$ to express the number of states in terms of entropy: $\Omega= \exp(S/k_B)$. The theory's Gaussian approximation is discussed in most statistical mechanics texts. I review work showing how to go beyond the Gaussian approximation by adding covariance, conservation, and consistency. This generalization leads to a fundamentally new object: the thermodynamic Riemannian curvature scalar $R$, a thermodynamic invariant. I argue that $|R|$ is related to the correlation length and suggest that the sign of $R$ corresponds to whether the interparticle interactions are effectively attractive or repulsive.Comment: 29 pages, 7 figures (added reference 27