Structural and chemical embrittlement of grain boundaries by impurities: a general theory and first principles calculations for copper

First principles calculations of the Sigma 5 (310)[001] symmetric tilt grain boundary in Cu with Bi, Na, and Ag substitutional impurities provide evidence that in the phenomenon of Bi embrittlement of Cu grain boundaries electronic effects do not play a major role; on the contrary, the embrittlement is mostly a structural or "size" effect. Na is predicted to be nearly as good an embrittler as Bi, whereas Ag does not embrittle the boundary in agreement with experiment. While we reject the prevailing view that "electronic" effects (i.e., charge transfer) are responsible for embrittlement, we do not exclude the role of chemistry. However numerical results show a striking equivalence between the alkali metal Na and the semi metal Bi, small differences being accounted for by their contrasting "size" and "softness" (defined here). In order to separate structural and chemical effects unambiguously if not uniquely, we model the embrittlement process by taking the system of grain boundary and free surfaces through a sequence of precisely defined gedanken processes; each of these representing a putative mechanism. We thereby identify three mechanisms of embrittlement by substitutional impurities, two of which survive in the case of embrittlement or cohesion enhancement by interstitials. Two of the three are purely structural and the third contains both structural and chemical elements that by their very nature cannot be further unravelled. We are able to take the systems we study through each of these stages by explicit computer simulations and assess the contribution of each to the nett reduction in intergranular cohesion. The conclusion we reach is that embrittlement by both Bi and Na is almost exclusively structural in origin; that is, the embrittlement is a size effect.Comment: 13 pages, 5 figures; Accepted in Phys. Rev.

Constrained Kalman Filtering via Density Function Truncation for Turbofan Engine Health Estimation

Kalman filters are often used to estimate the state variables of a dynamic system. However, in the application of Kalman filters some known signal information is often either ignored or dealt with heuristically. For instance, state variable constraints (which may be based on physical considerations) are often neglected because they do not fit easily into the structure of the Kalman filter. This article develops an analytic method of incorporating state variable inequality constraints in the Kalman filter. The resultant filter truncates the probability density function (PDF) of the Kalman filter estimate at the known constraints and then computes the constrained filter estimate as the mean of the truncated PDF. The incorporation of state variable constraints increases the computational effort of the filter but also improves its estimation accuracy. The improvement is demonstrated via simulation results obtained from a turbofan engine model. It is also shown that the truncated Kalman filter may provide a more accurate way of incorporating inequality constraints than other constrained filters (e.g. the projection approach to constrained filtering)

Generating and Analyzing Constrained Dark Energy Equations of State and Systematics Functions

Some functions entering cosmological analysis, such as the dark energy equation of state or systematic uncertainties, are unknown functions of redshift. To include them without assuming a particular form we derive an efficient method for generating realizations of all possible functions subject to certain bounds or physical conditions, e.g. w\in[-1,+1] as for quintessence. The method is optimal in the sense that it is both pure and complete in filling the allowed space of principal components. The technique is applied to propagation of systematic uncertainties in supernova population drift and dust corrections and calibration through to cosmology parameter estimation and bias in the magnitude-redshift Hubble diagram. We identify specific ranges of redshift and wavelength bands where the greatest improvements in supernova systematics due to population evolution and dust correction can be achieved.Comment: 12 pages, 11 figures; v2 minor revisions, higher resolution figures, matches PRD versio

Hierarchical Star Formation: Stars and Stellar Clusters in the Gould Belt

We perform a study of the spatial and kinematical distribution of young open clusters in the solar neighborhood, discerning between bound clusters and transient stellar condensations within our sample. Then, we discriminate between Gould Belt (GB) and local Galactic disk (LGD) members, using a previous estimate of the structural parameters of both systems obtained from a sample of O-B6 Hipparcos stars. Using this classified sample we analyze the spatial structure and the kinematic behavior of the cluster system in the GB. The two star formation regions that dominate and give the GB its characteristic inclined shape show a striking difference in their content of star clusters: while Ori OB1 is richly populated by open clusters, not a single one can be found within the boundaries of Sco OB2. This is mirrored in the velocity space, translating again into an abundance of clusters in the region of the kinematic space populated by the members of Ori OB1, and a marginal number of them associated to Sco OB2. In the light of these results we study the nature of the GB with respect to the optical segment of the Orion Arm, and we propose that the different content of star clusters, the different heights over the Galactic plane and the different residual velocities of Ori OB1 and Sco OB2 can be explained in terms of their relative position to the density maximum of the Local Arm in the solar neighborhood. Although morphologically intriguing, the GB appears to be the result of our local and biased view of a larger star cluster complex in the Local Arm, that could be explained by the internal dynamics of the Galactic disk.Comment: 23 pages, including 12 figures. Accepted for publication in MNRA

Manual and automatic flight control during severe turbulence penetration

An analytical and experimental investigation of possible contributing factors in jet aircraft turbulence upsets was conducted. Major contributing factors identified included autopilot and display deficiencies, the large aircraft inertia and associated long response time, and excessive pilot workload. An integrated flight and thrust energy management director system was synthesized. The system was incorporated in a moving-base simulation and evaluated using highly experienced airline pilots. The evaluation included comparison of pilot workload and flight performance during severe turbulence penetration utilizing four control/display concepts: manual control with conventional full panel display, conventional autopilot (A/P-A) with conventional full panel display, improved autopilot (A/P-B) with conventional full panel display plus thrust director display, and longitudinal flight director with conventional full panel display plus thrust director display. Simulation results show improved performance, reduced pilot workload, and a pilot preference for the autopilot system controlling to the flight director command and manual control of thrust following the trim thrust director