Engineering topics

Nichols, Albert L.

Publications and source records attributed to Nichols, Albert L..

4 records

DOE OSTI2021

A mesoscopic digital twin that bridges length and time scales for control of additively manufactured metal microstructures

We present our recent development of an integrated mesoscale digital twin (DT) framework for relating processing conditions, microstructures, and mechanical responses of additively manufactured (AM) metals. In particular, focusing on the laser powder bed fusion technique, we describe how individual modeling and simulation capabilities are coupled to investigate and control AM microstructural features at multiple length and time scales. We review our prior case studies that demonstrate the integrated modeling schemes, in which high-fidelity melt pool dynamics simulations provide accurate local thermal profiles and histories to subsequent AM microstructure simulations. We also report our new mechanical response modeling results for predicted AM microstructures. In addition, we illustrate how our DT framework has been validated through modeling–experiment integration, as well as how it has been practically utilized to guide and analyze AM experiments. Finally, we share our perspectives on future directions of further development of the DT framework for more efficient, accurate predictions and wider ranges of applications.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Modeling The Effects of Shock Pressure and Pore Morphology on Hot Spot Mechanisms in HMX

Here, we investigate the effects of shock pressure and pore morphology on the formation and growth of hot spots in HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). Both non-reactive and reactive ALE3D simulations are used in these studies. Our non-reactive simulations show a viscous-dominated pore collapse mode at lower shock pressures (2–10 GPa) with shear band formation and a hydrodynamic-dominated mode at higher shock pressures (20-40 GPa) due to bulk melting. When normalized by bulk shock heating, viscous-dominated pore collapse modes are more efficient at generating hot spots. Pore morphology influences the post-collapse temperature distributions and reaction rate for a fixed pore area and shock pressure. We find that multiple surface pores at the binder-grain interface tend to react the fastest. Due to their upstream location in the HMX grain, the surface pores collapse sooner than interior pores; thus, the extent of reaction will generally favor these morphologies because they have more time to grow. In general, multiple smaller hot spots tend to react faster than a single larger hot spot because they accelerate one another's burning. The rank order of morphology effects, however, is not the same for non-reactive and reactive simulations. For example, while multiple surface pores produce the highest reaction rates they do not produce the highest (non-reactive) hot spot temperatures. In conclusion, our numerical studies provide insights on hot spot mechanisms in lieu of direct measurements and can be used to develop advanced shock initiation models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

ALE3D: An Arbitrary Lagrangian-Eulerian Multi-Physics Code

ALE3D is a multi-physics numerical simulation software tool utilizing arbitrary-Lagrangian- Eulerian (ALE) techniques. The code is written to address both two-dimensional (2D plane and axisymmetric) and three-dimensional (3D) physics and engineering problems using a hybrid finite element and finite volume formulation to model fluid and elastic-plastic response of materials on an unstructured grid. As shown in Figure 1, ALE3D is a single code that integrates many physical phenomena.

42 ENGINEERING↗

DOE OSTI2016

Thermodynamics of HMX Polymorphs and HMX/RDX Mixtures

In this paper, we present thermodynamic models for the five most commonly studied phases of the energetic material octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX): liquid HMX and four solid polymorphs (α-, β-, γ-, and δ-HMX). We show results for the density, heat capacity, bulk modulus, and sound speed, as well as a phase diagram that illustrates the temperature and pressure regions over which the various HMX phases are most thermodynamically stable. The models are based on the same equation of state presented in our recently published paper [Myint et al., Ind. Eng. Chem. Res., 2016, 55, 2252] on another energetic material, hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). We combine our HMX and RDX models together so that the equation of state can also be applied to liquid and solid mixtures of HMX/RDX. This allows us to generate an HMX/RDX phase diagram and calculate the enthalpy change associated with a few different kinds of phase transitions that these mixtures may undergo. Our paper is the first to present a single equation of state that is capable of modeling both pure HMX and HMX/RDX mixtures. A distinct feature of HMX is the strongly metastable nature of its polymorphs. This has caused some ambiguity in the literature regarding the thermodynamic stability of α-HMX. Finally, by examining possible arrangements for the relative order of the six different solid-solid transition (α–β, α–γ, α–δ, β–γ, β–δ, and γ–δ) temperatures, we conclude that α-HMX must be thermodynamically stable so that the HMX phase diagram must have an α phase region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗