Computing of the actual shape of removed material for five-axis flat-end milling

This paper describes an algorithm that predicts the shape of material removed by a flat-end milling tool, and this may be used to compute machining strip width and scallop height at different positions of the tool path track. The algorithm computes swept sections, profiles which are swept by a moving tool bottom by passing through given planes. The technique is applicable for finish and semi-finish multi-axis milling strategies that use flat-end tools. For these strategies, the algorithm complexity can be reduced from computation of the 3D envelope of swept volumes to computation of plane-circle intersections. A new adaptive derivative-free method to sample tool motion provides robust means to generate intermediate tool positions. The step length is constrained by and dependent on different geometrical measures. At each point of a tool path, in the plane perpendicular to the cutting direction, the bottom profile of the swept section is an estimate of the profile of material left. By calculating the distance between part geometry and the computed profile of removed material, machining strip width and a scallop profile can be derived. These results can be used by tool path generation and validation routines to accurately determine the step-over between tool path tracks and surface quality.     

Mutations Closer to the Active Site Improve the Promiscuous Aldolase Activity of 4‐Oxalocrotonate Tautomerase More Effectively than Distant Mutations

The enzyme 4‐oxalocrotonate tautomerase (4‐OT), which catalyzes enol–keto tautomerization as part of a degradative pathway for aromatic hydrocarbons, promiscuously catalyzes various carbon–carbon bond‐forming reactions. These include the aldol condensation of acetaldehyde with benzaldehyde to yield cinnamaldehyde. Here, we demonstrate that 4‐OT can be engineered into a more efficient aldolase for this condensation reaction, with a >5000‐fold improvement in catalytic efficiency (k_cat/K_m) and a >10⁷‐fold change in reaction specificity, by exploring small libraries in which only “hotspots” are varied. The hotspots were identified by systematic mutagenesis (covering each residue), followed by a screen for single mutations that give a strong improvement in the desired aldolase activity. All beneficial mutations were near the active site of 4‐OT, thus underpinning the notion that new catalytic activities of a promiscuous enzyme are more effectively enhanced by mutations close to the active site.     

Efficient shift detection using multivariate exponentially-weighted moving average control charts and principal components

This paper demonstrates the use of principal components in conjunction with the multivariate exponentially-weighted moving average (MEWMA) control procedure for process monitoring. It is demonstrated that the number of variables to be monitored is reduced through this approach, and that the average run length to detect process shifts or upsets is substantially reduced as well. The performance of the MEWMA applied to all the variables may be related to the MEWMA control chart that uses principal components through the non-centrality parameter. An average run length table demonstrates the advantages of the principal components MEWMA over the procedure that uses all of the variables. An illustrative example is provided.     

Thermo‐hydraulic analysis of refinery heat exchangers undergoing fouling

A complete, systematic approach is presented for the analysis and characterization of fouling and cleaning in refinery heat exchangers. Bringing together advanced thermo‐hydraulic dynamic models, some new formulations, and a method for dynamic analysis of plant data, it allows: extracting significant information from the data; evaluating the fouling state of the units based on thermal measurements and pressure drops, if available; identifying the range of deposit conductivity leading to realistic pressure drops, if pressure measurements are unavailable; estimating key fouling and ageing parameters; estimating the effectiveness of cleaning and surface conditions after a clean; and predicting thermal and hydraulic performance with good accuracy for other periods/exchangers operating in similar conditions. An industrial case study demonstrates the performance prediction in seamless simulations that include partial and total cleanings for over 1000 days operation. The risks of using thermal effects alone and the significant advantages of including pressure drop measurements are highlighted. © 2016 American Institute of Chemical Engineers AIChE J, 63: 984–1001, 2017     

Effect of local structural defects on the precipitation of as in the vicinity of InAs quantum dots in a GaAs matrix

Electron-microscopy studies of GaAs structures grown by the method of molecular-beam epitaxy and containing arrays of semiconductor InAs quantum dots and metallic As quantum dots are performed. An array of InAs quantum dots is formed using the Stranski-Krastanow mechanism and consists of five layers of vertically conjugated quantum dots divided by a 5-nm-thick GaAs spacer layer. The array of As quantum dots is formed in an As-enriched GaAs layer grown at a low temperature above an array of InAs quantum dots using postgrowth annealing at temperatures of 400–600°C for 15 min. It is found that, during the course of structure growth near the InAs quantum dots, misfit defects are formed; these defects are represented by 60° or edge dislocations located in the heterointerface plane of the semiconductor quantum dots and penetrating to the surface through a layer of “low-temperature” GaAs. The presence of such structural defects leads to the formation of As quantum dots in the vicinity of the middle of the InAs conjugated quantum dots beyond the layer of “low-temperature” GaAs.     

A priori tests of large eddy simulation of the compressible plane mixing layer

Three important aspects for the assessment of the possibilities of Large Eddy Simulation (LES) of compressible flow are investigated. In particular the magnitude of all subgrid-terms, the role of the discretization errors and the correlation of the turbulent stress tensor with several subgrid-models are studied. The basis of the investigation is a Direct Numerical Simulation (DNS) of the two- and three-dimensional compressible mixing layer, using a finite volume method on a sufficiently fine grid. With respect to the first aspect, the exact filtered Navier-Stokes equations are derived and all terms are classified according to their order of magnitude. It is found that the pressure dilatation subgrid-term in the filtered energy equation, which is usually neglected in the modelling-practice, is as large as e.g. the pressure velocity subgrid-term, which in general is modelled. The second aspect yields the result that second- and fourth-order accurate spatial discretization methods give rise to discretization errors which are larger than the corresponding subgrid-terms, if the ratio between the filter width and the grid-spacing is close to one. Even if an exact representation for the subgrid-scale contributions is assumed, LES performed on a (considerably) coarser grid than required for a DNS, is accurate only if this ratio is sufficiently larger than one. Finally the well-known turbulent stress tensor is investigated in more detail. A priori tests of subgrid-models for this tensor yield poor correlations for Smagorinsky's model, which is purely dissipative, while the non-eddy viscosity models considered here correlate considerably better.     

Case Study – The Making of an Institutional Crisis: The Mass Release of Inmates by a Correctional Agency

A US state correctional agency inadvertently released a large numbers of inmates before expiration of their sentences. This created an institutional crisis, for three reasons. First, the correctly timed release of inmates is unequivocally central the agency's core mission. Second, the early releases were consequential, in that serious crimes were committed by those only out of prison because of early release. Third, a citizen alerted the agency of an early‐release calculation for a particular offender, but the agency failed to act on this information. The correctional agency responded to this crisis by changing both its operating procedure and its culture.