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The development of accurate constitutive models for materials that undergo path-dependent processes continues to be a complex challenge in computational solid mechanics. Challenges arise both in considering the appropriate model assumptions…
The rate of melting of a solid and the rate of deformation of the resulting melt due to capillary forces are comparable in additive manufacturing applications. This dynamic structural change of a melting solid is extremely challenging to…
Nowadays, most structural integrity concepts rely on simplified isotropic ma-terial data that are used within continuum mechanics modeling approaches. In contrast, modern casting and forming processes yield complex microstruc-tures coming…
The development of new engineering alloy chemistries is a time consuming and iterative process. A necessary step is characterization of the nano/microstructure to provide a link between the processing and properties of each alloy chemistry…
Reliable predictions of the behaviour of chemical systems are essential across many industries, from nanoscale engineering over validation of advanced materials to nanotoxicity assessment in health and medicine. For the future we therefore…
Neural style transfer has been demonstrated to be powerful in creating artistic image with help of Convolutional Neural Networks (CNN). However, there is still lack of computational analysis of perceptual components of the artistic style.…
A new computational framework is presented to predict the structural integrity of welds in hydrogen transmission pipelines. The framework combines: (i) a thermo-mechanical weld process model, and (ii) a coupled…
The origin of wear particles in metallic sliding contacts remains debated. Classical views based on cold-welded junctions suggest that plastic yielding of the real contact area should lead to large wear coefficients, in apparent…
In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various…
Technical components are usually well optimized. However, simply combining these optimized components in a technical system does not necessarily lead to optimal systems. Therefore, focusing on a system perspective reveals new potential for…
The approximate mathematical model for a cooling of the particle in a volatile liquid is developed and analyzed. Despite the precise model is complex and requires the solution of the nonstationary two-phase flow equations with the…
Predicting solid-solid phase transitions remains a long-standing challenge in materials science. Solid-solid transformations underpin a wide range of functional properties critical to energy conversion, information storage, and thermal…
Structural materials are broadly used in applications such as nuclear vessels, high-temperature processes, and civil construction. Usually, during their placing and lifespan, they may present free or chemically bonded liquid phases in their…
Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…
Heat transfer simulations of the fused filament fabrication process are an important tool to predict bonding, residual stresses and strength of 3D printed parts. But in order to capture the significant thermal gradients that occur in the…
A variety of computational models have been developed to describe active matter at different length and time scales. The diversity of the methods and the challenges in modeling active matter---ranging from molecular motors and cytoskeletal…
The absorptivity of a material is a major uncertainty in numerical simulations of laser welding and additive manufacturing, and its value is often calibrated through trial-and-error exercises. This adversely affects the capability of…
Additive manufacturing of a single crystalline metallic column is studied using molecular dynamics simulations. In the model, a melt pool is incrementally added and cooled to a target temperature under isobaric conditions to build a…
Solid modeling is a technique underlying CAD software as we see it today, and its theories and algorithms are among the most fundamental milestones in the historical development of CAD. Basically, it has answered the question of what…
Synthesis remains a challenge for advancing materials science. A key focus of this challenge is how to enable selective synthesis, particularly as it pertains to metastable materials. This perspective addresses the question: how can…