Spectral Stability of Deep Two‐Dimensional Gravity‐Capillary Water Waves

In this contribution we study the spectral stability problem for periodic traveling gravity‐capillary waves on a two‐dimensional fluid of infinite depth. We use a perturbative approach that computes the spectrum of the linearized water wave operator as an analytic function of the wave amplitude/slope. We extend the highly accurate method of Transformed Field Expansions to address surface tension in the presence of both simple and repeated eigenvalues, then numerically simulate the evolution of the spectrum as the wave amplitude is increased. We also calculate explicitly the first nonzero correction to the flat‐water spectrum, which we observe to accurately predict the stability (or instability) for all amplitudes within the disk of analyticity of the spectrum. With this observation in mind, the disk of analyticity of the flat state spectrum is numerically estimated as a function of the Bond number and the Bloch parameter, and compared to the value of the wave slope at the first finite amplitude eigenvalue collision.     

A new crystalline form of αβ‐d‐lactose prepared by oven drying a concentrated aqueous solution of d‐lactose

A new crystalline form of αβ‐d ‐lactose (C₁₂H₂₂O₁₁) has been prepared by the rapid drying of an approximately 40% w/v syrup of d ‐lactose. Initially identified from its novel powder X‐ray diffraction pattern, the monoclinic crystal structure was solved from a microcrystal recovered from the generally polycrystalline mixed‐phase residue obtained at the end of the drying step. This is the second crystalline form of αβ‐d ‐lactose to be identified and it has a high degree of structural three‐dimensional similarity to the previously identified triclinic form.     

Response of 3-D and Plain-Weave S-2 Glass Composites in Out-of-Plane Tension and Shear

An extensive suite of experiments was conducted to characterize the mechanical response of an S-2 glass composite. The primary interest was the response of a 3-D composite, consisting of unidirectional (non-woven) layers of glass fibers interlaced by through-thickness Z-yarns. A plain-weave material was also characterized for comparison purposes. Additionally, epoxy-only specimens were fabricated to assist in understanding the contribution of the SC-15 epoxy resin in the response of the composite system. Two new specimen geometries (torsion and hourglass) were developed specifically for this characterization effort. The response of these specimens provides considerable insight into the failure mechanics of the plain weave and 3-D weave composites. It was shown that the matrix material has an elastic-plastic response, but with different strengths in tension and torsion. The response of the composite in tension is controlled by the epoxy until failure at the glass-resin interface. The strength falls to zero for the plain-weave composite, but the Z-yarns can support tensile stress until the yarns begin to fail. The fibers contribute to the elastic stiffness in shear for the plain-weave material, but the failure strength in shear is the same as the matrix. The 3-D weave composite also fails at the failure strength of the matrix, but retains some shear strength because of the Z-yarns.     

Leaving us with fond memories,smiles, SMILES and,alas, tears: a tribute to David Weininger, 1952–2016

David Weininger’s career, accomplishments, genius, and friendship are warmly remembered by several of his colleagues, friends, and admirers.     

Confidence limits,error bars and method comparison in molecular modeling. Part 2: comparing methods

The calculation of error bars for quantities of interest in computational chemistry comes in two forms: (1) Determining the confidence of a prediction, for instance of the property of a molecule; (2) Assessing uncertainty in measuring the difference between properties, for instance between performance metrics of two or more computational approaches. While a former paper in this series concentrated on the first of these, this second paper focuses on comparison, i.e. how do we calculate differences in methods in an accurate and statistically valid manner. Described within are classical statistical approaches for comparing widely used metrics such as enrichment, area under the curve and Pearson’s product-moment coefficient, as well as generic measures. These are considered of over single and multiple sets of data and for two or more methods that evince either independent or correlated behavior. General issues concerning significance testing and confidence limits from a Bayesian perspective are discussed, along with size-of-effect aspects of evaluation.     

Traveling gravity water waves in two and three dimensions

This paper discusses the bifurcation theory for the equations for traveling surface water waves, based on the formulation of Zakharov [58] and of Craig and Sulem [15] in terms of integro-differential equations on the free surface. This theory recovers the well-known picture of bifurcation curves of Stokes progressive wavetrains in two-dimensions, with the bifurcation parameter being the phase velocity of the solution. In three dimensions the phase velocity is a two-dimensional vector, and the resulting bifurcation equations describe two-dimensional bifurcation surfaces, with multiple intersections at simple bifurcation points. The integro-differential formulation on the free surface is posed in terms of the Dirichlet–Neumann operator for the fluid domain. This lends itself naturally to numerical computations through the fast Fourier transform and surface spectral methods, which has been implemented in Nicholls [32]. We present a perturbation analysis of the resulting bifurcation surfaces for the three-dimensional problem, some analytic results for these bifurcation problems, and numerical solutions of the surface water waves problem, based on a numerical continuation method which uses the spectral formulation of the problem in surface variables. Our numerical results address the problem in both two and three dimensions, and for both the shallow and deep water cases. In particular we describe the formation of steep hexagonal traveling wave patterns in the three-dimensional shallow water regime, and their transition to rolling waves, on high aspect ratio rectangular patterns as the depth increases to infinity.     

Operator expansions and constrained quadratic optimization for interface reconstruction: Impenetrable periodic acoustic media

Grating scattering is a fundamental model in remote sensing, electromagnetics, ocean acoustics, nondestructive testing, and image reconstruction. In this work, we examine the problem of detecting the geometric properties of gratings in a two-dimensional acoustic medium where the fields are governed by the Helmholtz equation. Building upon our previous Boundary Perturbation approach (implemented with the Operator Expansions formalism) we derive a new approach which augments this with a new “smoothing” mechanism. With numerical simulations we demonstrate the enhanced stability and accuracy of our new approach which further suggests not only a rigorous proof of convergence, but also a path to generalizing the algorithm to multiple layers, three dimensions, and the full equations of linear elasticity and Maxwell’s equations.     

Die Bestimxnung der in England verbotenen Teerfarbstoffe in Lebensmitteln

Ohne Zusammenfassung     

Kinetics of Degradation of Biapenem

The kinetic and thermodynamic analysis of biapenem degradation was conducted during acid–base hydrolysis, under the influence of buffer components and in the solid state at increased temperature (dry air) and relative air humidity (RH > 50%). The effects of the initial concentration of biapenem and the formation of degradation products on its stability were investigated.