This chapter familiarizes readers with the basic theory of molecular dynamics and its application in the study of materials. It explains how material properties and behaviors are determined through the iterative calculation of motion equations for a collection of atoms under a given set of conditions. It also provides a walk-through on the use of LAMMPS, an open-source molecular dynamics simulator, discussing the selections and inputs of relevance to practical materials problems.

The appendix contains detailed simulation examples through which readers learn how to format and analyze problems using the LAMMPS molecular dynamics simulator. By means of simulation, readers will determine the thermal expansion coefficient of copper, generate stress-strain plots for aluminum at different temperatures, calculate the surface energy of copper for different crystal orientations, investigate diffusion effects in BCC iron, estimate the sliding friction between graphene layers, compare the stacking fault energy of silver and aluminum, and analyze the properties and behaviors of liquids and gases. All examples employ a systematic problem-solving approach and include necessary input code.

This article introduces procedures an engineer or materials scientist can use to investigate failures. It provides a brief survey of polymer systems and key properties that need to be measured during failure analysis. The article begins with an overview of the problem-solving approach pertinent to structure analysis. This is followed by a review of the characterization of plastics by infrared and nuclear magnetic resonance spectroscopy. The article then provides information on the distribution of molecular weight of an engineering plastic. It further discusses the methods used in thermal analysis, namely differential thermal analysis, thermogravimetric analysis, thermal-mechanical analysis, and dynamic mechanical analysis. The following sections provide details on X-ray diffraction for analyzing crystalline phases and on a minimal scheme for polymer analysis and characterization to assist the design engineer. The article ends with a discussion on the thermal-analytical scheme for analyzing the milligram quantities of polymer samples.

This article reviews various analytical techniques most commonly used in plastic component failure analysis. The description of the techniques is intended to make the reader familiar with the general principles and benefits of the methodologies. The descriptions of the analytical techniques are supplemented by a series of case studies that include pertinent visual examination results and the corresponding images that aided in the characterization of the failures. The techniques covered include Fourier transform infrared spectroscopy, differential scanning calorimetry, thermogravimetric analysis, thermomechanical analysis, and dynamic mechanical analysis. The article also discusses various analytical methods used to characterize the molecular weight distribution of a polymeric material. It provides information on a wide range of mechanical tests that are available to evaluate plastics and polymers, covering the various considerations in the selection and use of test methods.

This article addresses some established protocols in characterizing thermoplastics, whether they are homogeneous resins, alloyed or blended compositions, or highly modified thermoplastic composites. It begins with a description of various approaches used for the determination of molecular weight (MW) by viscosity measurements. This is followed by a discussion of the use of cone and plate and parallel plate geometries in determining the viscoelastic properties of a polymer melt. Details on some of the chromatographic techniques that allow determination of MW and MW distribution of polymers are then provided. The article concludes with information on three distinctive, but complementary operations of thermoanalytical techniques, namely differential scanning calorimetry, thermogravimetric analysis, and thermomechanical testing.

The modeling and simulation activities in the field of high-pressure cold spray can be divided into two main parts: solid mechanics and fluid dynamics. This chapter focuses on these parts of modeling work in cold spray research. The discussion covers the objective, principal concepts, methods, and outcome of modeling and simulation of particle impact and of in-flight history of particles in cold spraying. The concept of integration of particle impact and fluid flow modeling to optimize cold spray deposition for a given material is also explained.

This article is a compilation of abbreviations and symbols related to characterization and failure analysis of plastics.