Download Energetic Materials: Thermophysical Properties, Predictions, by Veera Boddu, Paul Redner PDF

By Veera Boddu, Paul Redner

The improvement, processing, and lifecycle environmental impression research of full of life fabrics all pose numerous demanding situations and strength risks. simply because defense issues seriously restrict examine of those elements at such a lot learn amenities, engineers will specially savor a device that strengthens figuring out of the chemistry and physics concerned and is helping them greater expect how those fabrics will behave while utilized in explosives, propellants, pyrotechnics, and different applications.

Integrate state-of-the-art examine subsidized by means of the U.S. division of Defense

Energetic fabrics: Thermophysical homes, Predictions, and Experimental Measurements covers various complex empirical modeling and simulation instruments used to discover improvement, functionality, sensitivity, and lifecycle problems with lively fabrics. targeting a severe part of lively fabrics examine— prediction of thermophysical properties—this ebook elucidates cutting edge and experimental concepts getting used to:

  • Apply molecular and meso-scale modeling methodologies to degree reactivity, functionality, and houses of recent full of life materials
  • Gain perception into shear initiation on the particulate level
  • Better comprehend the destiny, delivery, and total environmental impression of full of life materials
  • Evaluate the functionality of recent fabrics and determine their response mechanisms

Edited by means of revered U.S. military engineers, this ebook highlights state-of-the-art study from leaders within the energetics group. Documenting the background, functions, and environmental habit of vigorous fabrics, this reference is a worthy source for someone operating to optimize their significant potential—either now or within the future.

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Extra resources for Energetic Materials: Thermophysical Properties, Predictions, and Experimental Measurements

Example text

3 is that there are two Hugoniots. The lower curve represents the shock through the unreacted material. The second represents the shock through the reacted material because the wave is experiencing different conditions as it moves forward. At the CJ point, DCJ is the minimum value of D. 32. 32) This implies that the point of minimum entropy also occurs at the CJ point and that the normal, unshocked isentropic curve, or adiabat, that passes through the CJ point is tangent to both the Hugoniot and the straight line connecting the points (P0, V0) to (PCJ, VCJ).

2005) was used in the NPT (constant number of atoms, pressure, and temperature) ensemble for computing the partition coefficients. NAMD uses a dual-topology scheme (Axelsen and Li 1998; Pearlman 1994) where both the initial and the final states are defined concurrently. Nitrobenzene was used as the reference solute for both transformations. 013 bar—one for the water phase, one for the water-saturated 1-octanol solution, and the last for the vacuum phase. 255 (Debolt and Kollman 1995). Simulations were also run at 308K and 318K to investigate the temperature dependence of the partition coefficients.

While each of the aforementioned force fields is based on the idea of “transferable” potential parameters, that is, parameters for atoms or functional groups that are independent of the bonding environment, the philosophies of parameter optimization differ. Force fields in the biological sciences are typically fit to reproduce properties of the condensed phase at room temperature, such as heat of vaporization and liquid density, and may also be fit to reproduce ab initio derived potential energy surfaces of the target molecule with various probe atoms (Yin and Mackerell 1998).

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