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Mathematics & Statistics

Modeling & simulation research

Projects/Programs

Displaying 1 - 22 of 22

Atomistic Potentials and the Future of Nanomaterials Metrology

Ongoing
Atomistic simulations are increasingly being used as a tool to understand and predict properties of materials in systems, such as nanomaterials, where direct measurement is time-consuming or extremely difficult. The success of atomistic simulations depends critically on the fidelity of a specific

Computational Chemistry

Ongoing
Given the combinatorial possibilities for combining fundamental elements to create novel molecules, bench science experimentation is impractical as a wholesale means to discovery. By contrast, computational resources abound and thereby offer a possible alternative. However, this immense resource is

Computational Micromagnetics

Ongoing
Micromagnetics technologies constitute the foundation of computer storage devices. Exponential growth in the size of portable magnetic memories accompanied by decrease cost-per-byte is evidence of success in this technology. To sustain this growth engineers and scientists are increasingly using
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Cyber Physical Systems and Internet of Things Program

Ongoing
Objective - Enable scalable, dependable design methods and reproducible performance measurement for effective and trustworthy (reliable, safe, secure, resilient and privacy-enhancing) cyber-physical systems and IoT, by means of new measurement science, advanced testing and assurance capabilities and

Data Driven Decision Support for Additive Manufacturing

Completed
Objective To develop and deploy the metrics, models, and best practices for using product definition, advanced analytics, and machine learning methods in additive manufacturing design and process planning to reduce lead times and support first-part-correct goals. Technical Idea Future advancements
Figure 1. Class of optical setup considered in this work. The aperture can be limiting (as shown in this case) or nonlimiting.

Diffraction effects in radiometry

Ongoing
Essentially, classical radiometry relies on geometrical optics (to relate source radiance), geometrical aspects of an optical layout, and the irradiance at the detector. One considers the propagation of radiation from points on the surface of the source to points on the surface of the detector. In

Fluid Suspensions and Emulsions

Ongoing
We aim to: Develop measurement capabilities to relate solution structure and viscosity through novel combinations of unique small volume, high shear rate rheometers with scattering and particle-imaging techniques. A major application of these capabilities is understanding self-association in fluids
Logo for Free Energy and Advanced Sampling Simulation Toolkit (FEASST)

Free Energy and Advanced Sampling Simulation Toolkit (FEASST)

Ongoing
Intended Impact While flat-histogram Monte Carlo simulations have been shown to be a promising method for the direct calculation of complex fluid phase behavior with a variety of applications, most open-source Monte Carlo simulation packages do not support this method. We have therefore made FEASST
Diagram showing the electro-thermo-mechanical relations in a crystal

Genomics of Electronic Materials

Ongoing
We approach this multidimensional characterization problem by developing measurement-based techniques to rapidly quantify all of the relevant properties of thin-film materials, interfaces, and microelectronic structures. We make extensive use of finite-element simulations, as well as linear and non

Material Qualification

Ongoing
Objective To develop, utilize, and analyze methods of characterizing the precursor materials in additive manufacturing in both virgin and recycled states with the goal of advancing measurement science to benefit the AM community. The components of principal interest will include the rheological

Measurement Science for Complex Information Systems

Ongoing
What are complex systems? Large collections of interconnected components whose interactions lead to macroscopic behaviors in: Biological systems (e.g., slime molds, ant colonies, embryos) Physical systems (e.g., earthquakes, avalanches, forest fires) Social systems (e.g., transportation networks

Metrology for Multi-Physics AM Model Validation

Completed
Objective To provide reference data for the validation of multi-physics models of metal additive manufacturing processes to enable improvement of AM process models and more rapid and predictable process development for AM production by manufacturers. What is the Technical Idea? The Metrology for
MGI-Logo

Modeling Dispersion Rheology for Non-Spherical Particles

Completed
The goal of this MGI project is to establish an interactive database, generated by sophisticated modeling, such as dissipative particle dynamics and smooth particle hydrodynamics, to compute the rheological properties of polymer composites, where interaction among inclusions, inclusion particle

Modeling and Simulation of Nanofabrication (Archived)

Completed
While self-assembly is still in its relative infancy with respect to practical use, with much additional research required to reach maturity, the more widely utilized top-down methods will continue to require advances and modifications to improve current nanomanufacturing techniques. This modeling
Spectroscopic ellipsometry measurement of a 2D monolayer and the optical property for such a thin layer.

Optical and Optoelectronic Materials Characterization

Ongoing
Today's electronics have reached a point where sheer computation power has combined form and function as the key driver of large consumer markets. The demand for portable and pervasive electronics with greater functionality promises significant changes over the next decades in how society interacts

Precursor Material Qualification

Completed
To develop, utilize, and analyze methods of characterizing the precursor materials in additive manufacturing in both virgin and recycled states with the goal of advancing measurement science to benefit the AM community. The components of principal interest will include the rheological, size

Sensing and Imaging of concealed objects

Ongoing
Threats to personal and collective safety abound in our society. The Security Technologies Group (STG) performs research to advance the technology and measurement science of security imaging and sensing. This work includes the establishment of test and evaluation tools, reference test beds, test

Smart Grid Communication Networks

Ongoing
Objective: To accelerate the development of scalable, reliable, secure, and interoperable communications and standards for smart grid applications; and to enable informed decision making by smart grid operators by developing measurement science-based guidelines and tools. What is the new technical
Breathalyzer

Standards Development to Ensure Reliable Breath Analysis in the Field

Ongoing
Numerous volatile organic compounds (VOCs) have been identified in human breath. These compounds can be produced by the body or by organisms in the body (e.g., bacteria or viruses) and provide a non-invasive window into human health. Inexpensive point-of-care devices are being developed to diagnose

Thermodynamic & Kinetic Data for Sustainable Energy

Completed
Knowledge of the thermodynamic, phase equilibria and diffusion properties of potential novel materials can greatly accelerate their development. However, the data needed for new, multi-component materials are often not available. The CALPHAD (Computer Coupling of Phase Diagrams and thermochemistry)
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µMAG: Micromagnetic Modeling Activity Group

Ongoing
µMAG advances the state of the art in micromagnetic modeling by establishing and maintaining communications among interested researchers, by defining a collection of standard micromagnetic problems, and by leading the development of a public reference implementation of micromagnetic software.