Experimental Data Need for High-Fidelity Material-Response Models

Several high-fidelity material-response models are being developed by the hypersonic community. These models require, in addition to the input parameters traditionally used in the state-of-the-art material-response codes, data not currently available - at least in the open literature. The presentations in the session will describe both state-of-the-art experimental techniques and innovative methods in support of model development and data acquisition for high-fidelity models

Test Case Series 1

A simple one-dimensional test case is defined for the purpose of inter-code comparison. This year the focus is set on in-depth physics and chemistry. Material properties, boundary conditions, and output format are provided

Ablation Test-Case Series #3. Numerical Simulation of Ablative-Material Response: Code and Model Comparisons

The test-case series #3 will be a further extension of the tests defined within the framework of the NASA ablation modelling workshops. In order to reduce the amount of work, all tests within test-case series #3, will use the TACOT material defined by Lachaud et al. The main goal of this new series, is to test the 3D modelling capabilities of the participating codes. The first 1D results were presented at the 4th Ablation workshop, and together with the results of the second test-case series, will be discussed and analyzed more thoroughly at the 5th Ablation Workshop, Feb. 28- March 1, 2012, Lexington, Kentucky

Ablation Test Case Series #2

This test-case series on the numerical simulation of the response of ablative-materials really started out of pure curiosity. Code developers and users were curious to see ”how the codes compare” and ”what is the effect of the different hypotheses in the models implemented”. The objective of these test-case series is to propose problems of increasing complexity until it is agreed that the most-elaborated well-defined problem is formulated. The first test-case was mostly a simple heat transfer problem chosen for it’s simplicity (it is summarized in section 2.1). The second test-case series goes one step further, with the objective of reaching the state-of-the-art design level. It will require the patience of the industrial participants for whom this second series will still mean ”running a basic case”, with codes that have already been tested, verified, and validated. It will also require the comprehension of the academic participants for whom it will imply implementing in their codes engineering models, with maybe no other intents than ”running the second ablation test-case series” and comparing their codes with design tools

Definition of Ablation Test-Case Series #3

The test-case series #3 will be a further extension of the tests defined within the framework of the NASA ablation modelling workshops. In order to reduce the amount of work, all tests within test-case series #3, will use the TACOT material defined by Lachaud et al. The main goal of this new series, is to test the 3D modelling capabilities of the participating codes. The first 1D results were presented at the 4th Ablation workshop, and together with the results of the second test-case series, will be discussed and analyzed more thoroughly at the 5th Ablation Workshop, Feb. 28- March 1, 2012, Lexington, Kentucky

Ablation Test-Case Series #2. Numerical Simulation of Ablative-Material Response: Code and Model Comparisons

This test-case series on the numerical simulation of the response of ablative-materials really started out of pure curiosity. Code developers and users were curious to see how the codes compare and what is the effect of the different hypotheses in the models implemented . The objective of these test-case series is to propose problems of increasing complexity until it is agreed that the most-elaborated well-defined problem is formulated. The first test-case was mostly a simple heat transfer problem chosen for it’s simplicity (it is summarized in section 2.1). The second test-case series goes one step further, with the objective of reaching the state-of-the-art design level. It will require the patience of the industrial participants for whom this second series will still mean running a basic case , with codes that have already been tested, verified, and validated. It will also require the comprehension of the academic participants for whom it will imply implementing in their codes engineering models, with maybe no other intents than running the second ablation test-case series and comparing their codes with design tools

Heat conductivity of DNA double helix

Thermal conductivity of isolated single molecule DNA fragments is of importance for nanotechnology, but has not yet been measured experimentally. Theoretical estimates based on simplified (1D) models predict anomalously high thermal conductivity. To investigate thermal properties of single molecule DNA we have developed a 3D coarse-grained (CG) model that retains the realism of the full all-atom description, but is significantly more efficient. Within the proposed model each nucleotide is represented by 6 particles or grains; the grains interact via effective potentials inferred from classical molecular dynamics (MD) trajectories based on a well-established all-atom potential function. Comparisons of 10 ns long MD trajectories between the CG and the corresponding all-atom model show similar root-mean-square deviations from the canonical B-form DNA, and similar structural fluctuations. At the same time, the CG model is 10 to 100 times faster depending on the length of the DNA fragment in the simulation. Analysis of dispersion curves derived from the CG model yields longitudinal sound velocity and torsional stiffness in close agreement with existing experiments. The computational efficiency of the CG model makes it possible to calculate thermal conductivity of a single DNA molecule not yet available experimentally. For a uniform (polyG-polyC) DNA, the estimated conductivity coefficient is 0.3 W/mK which is half the value of thermal conductivity for water. This result is in stark contrast with estimates of thermal conductivity for simplified, effectively 1D chains ("beads on a spring") that predict anomalous (infinite) thermal conductivity. Thus, full 3D character of DNA double-helix retained in the proposed model appears to be essential for describing its thermal properties at a single molecule level.Comment: 16 pages, 12 figure

Code-to-Code Comparison, and Material Response Modeling of Stardust and MSL using PATO and FIAT

This report provides a code-to-code comparison between PATO, a recently developed high fidelity material response code, and FIAT, NASA's legacy code for ablation response modeling. The goal is to demonstrates that FIAT and PATO generate the same results when using the same models. Test cases of increasing complexity are used, from both arc-jet testing and flight experiment. When using the exact same physical models, material properties and boundary conditions, the two codes give results that are within 2% of errors. The minor discrepancy is attributed to the inclusion of the gas phase heat capacity (cp) in the energy equation in PATO, and not in FIAT