skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Enhanced densification under shock compression in porous silicon

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
 [1];  [1];  [2]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Under shock compression, most porous materials exhibit lower densities for a given pressure than that of a full-dense sample of the same material. However, some porous materials exhibit an anomalous, or enhanced, densification under shock compression. The mechanism driving this behavior was not completely determined. We present evidence from atomistic simulation that pure silicon belongs to this anomalous class of materials and demonstrate the associated mechanisms responsible for the effect in porous silicon. Atomistic response indicates that local shear strain in the neighborhood of collapsing pores catalyzes a local solid-solid phase transformation even when bulk pressures are below the thermodynamic phase transformation pressure. This metastable, local, and partial, solid-solid phase transformation, which accounts for the enhanced densification in silicon, is driven by the local stress state near the void, not equilibrium thermodynamics. This mechanism may also explain the phenomenon in other covalently bonded materials.

Research Organization:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
AC04-94AL85000
OSTI ID:
1182965
Alternate ID(s):
OSTI ID: 1181313
Report Number(s):
SAND-2014-15876J; PRBMDO; 533326; TRN: US1600353
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Vol. 90, Issue 13; ISSN 1098-0121
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 14 works
Citation information provided by
Web of Science

References (32)

Equation of state and evidence of enhanced phase transformation for shock compression of distended compounds journal June 2013
Shock compression of porous metals and silicates journal August 2012
Porous silicon nitride under shock compression
  • Yakushev, Vladislav; Utkin, Alexander; Zhukov, Andrey
  • SHOCK COMPRESSION OF CONDENSED MATTER - 2011: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.3686574
conference January 2012
Shock deformation of brittle solids journal January 1980
Phase Diagrams of Silicon and Germanium to 200 kbar, 1000°C journal December 1964
In situ x-ray diffraction study of silicon at pressures up to 15.5 GPa and temperatures up to 1073 K journal July 2003
Axial Yield Strengths and Two Successive Phase Transition Stresses for Crystalline Silicon journal April 1971
Inelastic deformation and phase transformation of shock compressed silicon single crystals journal November 2007
Thermodynamics of uniaxial phase transition: Ab initio study of the diamond-to-β-tin transition in Si and Ge journal March 2001
Transition pressures and enthalpy barriers for the cubic diamond β -tin transition in Si and Ge under nonhydrostatic conditions journal April 2006
Phase transformation in Si from semiconducting diamond to metallic β -Sn phase in QMC and DFT under hydrostatic and anisotropic stress journal July 2010
Nanovoid formation in helium-implanted single-crystal silicon studied by in situ techniques journal April 2004
Voids in Silicon by He Implantation: From Basic to Applications journal July 2000
Plasticity Induced by Shock Waves in Nonequilibrium Molecular-Dynamics Simulations journal June 1998
Microscopic View of Structural Phase Transitions Induced by Shock Waves journal May 2002
Void growth in metals: Atomistic calculations journal September 2008
Hot spot and temperature analysis of shocked hydrocarbon polymer foams using molecular dynamics simulation journal November 2013
Shock compression of hydrocarbon foam to 200 GPa: Experiments, atomistic simulations, and mesoscale hydrodynamic modeling journal September 2013
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
Modified embedded atom potentials for HCP metals journal January 1994
Calculation of the behaviour of Si ad-dimers on Si(001) journal March 1997
A modified embedded atom method study of the high pressure phases of silicon journal May 2003
Modified embedded-atom potentials for cubic materials and impurities journal August 1992
Shock-induced phase transformations in gallium single crystals by atomistic methods journal October 2013
First-principles calculation of the melting curve and Hugoniot of tin journal July 2002
Molecular Dynamics Simulation of Dynamic Response of Beryllium
  • Thompson, Aidan P.; Lane, J. Matthew D.; Desjarlais, Michael P.
  • SHOCK COMPRESSION OF CONDENSED MATTER 2009: Proceedings of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.3295271
conference January 2009
Polycrystalline iron under compression: Plasticity and phase transitions journal October 2012
Modified embedded atom method calculations for reconstructed (110) surfaces of face-centered cubic metals journal January 2000
Strength of Ta–Si interfaces by molecular dynamics journal April 2003
Orientation and rate dependence in high strain-rate compression of single-crystal silicon journal December 2012
Molecular Dynamics Simulation of Shock-Induced Phase Transition in Germanium
  • Lane, J. Matthew D.; Thompson, Aidan P.; Elert, Mark
  • SHOCK COMPRESSION OF CONDENSED MATTER 2009: Proceedings of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.3295007
conference January 2009
Molecular dynamics simulations of shock-compressed single-crystal silicon journal February 2014

Cited By (1)

Hugoniot equation of state and dynamic strength of boron carbide journal April 2015

Similar Records

High Pressure Materials Research: Novel Extended Phases of Molecular Triatomics
Book · Fri Jan 27 00:00:00 EST 2006 · OSTI ID:1182965

Transitions of Dislocation Glide to Twinning and Shear Transformation in Shock-Deformed Tantalum
Conference · Mon Oct 19 00:00:00 EDT 2009 · OSTI ID:1182965

Shock-compression and release behavior near melt states in aluminum. [Porous Al]
Journal Article · Sat Nov 01 00:00:00 EST 1975 · J. Appl. Phys.; (United States) · OSTI ID:1182965